4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine

C174H361F2N29O14S — CID 160770471

About 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine

4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine (PubChem CID 160770471) has the molecular formula C174H361F2N29O14S and a molecular weight of 3154.05 g/mol. Its IUPAC name is 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine.

Molecular Properties

• Compound Name: 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
• PubChem CID: 160770471
• Molecular Formula: C174H361F2N29O14S
• Molecular Weight: 3154.05 g/mol
• Exact Mass: 3151.81
• IUPAC Name: 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
• SMILES: CC(C)CCCCN1CCOCC1.CC(C)CCCN1CCCCC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCC(O)C1.CC(C)N1CCN(C)CC1.CC(C)NCCCCCCO.CC(C)NCCCn1ccnc1.CC(C)NCCN1CCCC1.CC(C)NCCN1CCOCC1.CC(C)NCCO.CC(C)NCCc1ccccn1.CC(C)NCc1ccccn1.CC(C)OCCCN1CCCCC1.CC(C)OCCN1CCCC1.CC(C)OCCN1CCOCC1.CC(C)OCCN1CCOCC1.CC(C)OCCc1ccncc1.CNC(C)C.COC(C)C.COCCN(C)C.CSC(C)=N/C(N)=N/C(C)C
• InChI: InChI=1S/2C11H23NO.C11H23N.C10H16N2.C10H15NO.C9H17N3.C9H20N2O.C9H20N2.C9H14N2.2C9H19NO2.C9H19NO.C9H21NO.C8H15F2N.C8H18N2.C8H17NO.C7H15N3S.2C5H13NO.C4H11N.C4H10O/c1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-11(2)5-3-4-6-12-7-9-13-10-8-12;1-11(2)7-6-10-12-8-4-3-5-9-12;1-9(2)11-8-6-10-5-3-4-7-12-10;1-9(2)12-8-5-10-3-6-11-7-4-10;1-9(2)11-4-3-6-12-7-5-10-8-12;1-9(2)10-3-4-11-5-7-12-8-6-11;1-9(2)10-5-8-11-6-3-4-7-11;1-8(2)11-7-9-5-3-4-6-10-9;2*1-9(2)12-8-5-10-3-6-11-7-4-10;1-9(2)11-8-7-10-5-3-4-6-10;1-9(2)10-7-5-3-4-6-8-11;1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-4-8(10)6-9;1-5(2)9-7(8)10-6(3)11-4;1-6(2)4-5-7-3;1-5(2)6-3-4-7;2*1-4(2)5-3/h2*11H,3-10H2,1-2H3;11H,3-10H2,1-2H3;3-5,7,9,11H,6,8H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;5,7-9,11H,3-4,6H2,1-2H3;9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8,11H,7H2,1-2H3;2*9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;5H,1-4H3,(H2,8,9);4-5H2,1-3H3;5-7H,3-4H2,1-2H3;4-5H,1-3H3;4H,1-3H3
• InChIKey: RZGBATYBIIGZQR-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 407.81 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 69
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3154.05
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?

The IUPAC name of 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine (CID 160770471) is 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine.

What is the SMILES notation for 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?

The canonical SMILES for 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine is CC(C)CCCCN1CCOCC1.CC(C)CCCN1CCCCC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCC(O)C1.CC(C)N1CCN(C)CC1.CC(C)NCCCCCCO.CC(C)NCCCn1ccnc1.CC(C)NCCN1CCCC1.CC(C)NCCN1CCOCC1.CC(C)NCCO.CC(C)NCCc1ccccn1.CC(C)NCc1ccccn1.CC(C)OCCCN1CCCCC1.CC(C)OCCN1CCCC1.CC(C)OCCN1CCOCC1.CC(C)OCCN1CCOCC1.CC(C)OCCc1ccncc1.CNC(C)C.COC(C)C.COCCN(C)C.CSC(C)=N/C(N)=N/C(C)C.

What is the InChIKey of 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?

The InChIKey is RZGBATYBIIGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23NO.C11H23N.C10H16N2.C10H15NO.C9H17N3.C9H20N2O.C9H20N2.C9H14N2.2C9H19NO2.C9H19NO.C9H21NO.C8H15F2N.C8H18N2.C8H17NO.C7H15N3S.2C5H13NO.C4H11N.C4H10O/c1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-11(2)5-3-4-6-12-7-9-13-10-8-12;1-11(2)7-6-10-12-8-4-3-5-9-12;1-9(2)11-8-6-10-5-3-4-7-12-10;1-9(2)12-8-5-10-3-6-11-7-4-10;1-9(2)11-4-3-6-12-7-5-10-8-12;1-9(2)10-3-4-11-5-7-12-8-6-11;1-9(2)10-5-8-11-6-3-4-7-11;1-8(2)11-7-9-5-3-4-6-10-9;2*1-9(2)12-8-5-10-3-6-11-7-4-10;1-9(2)11-8-7-10-5-3-4-6-10;1-9(2)10-7-5-3-4-6-8-11;1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-4-8(10)6-9;1-5(2)9-7(8)10-6(3)11-4;1-6(2)4-5-7-3;1-5(2)6-3-4-7;2*1-4(2)5-3/h2*11H,3-10H2,1-2H3;11H,3-10H2,1-2H3;3-5,7,9,11H,6,8H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;5,7-9,11H,3-4,6H2,1-2H3;9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8,11H,7H2,1-2H3;2*9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;5H,1-4H3,(H2,8,9);4-5H2,1-3H3;5-7H,3-4H2,1-2H3;4-5H,1-3H3;4H,1-3H3.

What are the key properties of 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?

4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine has a molecular weight of 3154.05 g/mol, XLogP of 26.73, 69 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluoro-1-propan-2-ylpiperidine;3-imidazol-1-yl-N-propan-2-ylpropan-1-amine;2-methoxy-N,N-dimethylethanamine;2-methoxypropane;4-(5-methylhexyl)morpholine;1-(4-methylpentyl)piperidine;N-methylpropan-2-amine;methyl N-(N'-propan-2-ylcarbamimidoyl)ethanimidothioate;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;2-(propan-2-ylamino)ethanol;6-(propan-2-ylamino)hexan-1-ol;bis(4-(2-propan-2-yloxyethyl)morpholine);4-(2-propan-2-yloxyethyl)pyridine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-ylpiperidin-3-ol;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 160770471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).