N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one

C179H375N25O17 — CID 157402993

About N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one

N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one (PubChem CID 157402993) has the molecular formula C179H375N25O17 and a molecular weight of 3150.13 g/mol. Its IUPAC name is N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
• PubChem CID: 157402993
• Molecular Formula: C179H375N25O17
• Molecular Weight: 3150.13 g/mol
• Exact Mass: 3147.92
• IUPAC Name: N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
• SMILES: C1CNCOC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)CC1CCOCC1.CC(C)CCC1CCOCC1.CC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)CC1CCOCC1.CC(C)N1CCCC1=O.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NCCN(C)C.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCOC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCOCC1.CC(C)OCCN1CCN(C)CC1.CCC1CCCN(C)C1.CCC1CCCOC1
• InChI: InChI=1S/C10H22N2O.2C10H20N2O.2C10H22N2.C10H21NO.C10H21N.C10H20O.C9H18N2O.2C9H19NO.C9H18O.C8H17N.2C8H16O2.C7H14N2O.C7H16N2.C7H18N2.C7H13NO.C7H14O.C4H9NO/c1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11(3)8-10-4-6-12-7-5-10;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-8(2)7-9-3-5-10-6-4-9;1-3-8-5-4-6-9(2)7-8;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-6-9(3)4;1-6(2)8-5-3-4-7(8)9;1-2-7-4-3-5-8-6-7;1-2-5-4-6-3-1/h10H,4-9H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);2*9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6H,3-5H2,1-2H3;7H,2-6H2,1H3;5H,1-4H2
• InChIKey: BNJSMSQBRXMZSX-UHFFFAOYSA-N
• XLogP: 26.74
• TPSA: 329.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3150.13
LogP ≤ 5	26.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one?

The IUPAC name of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one (CID 157402993) is N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one.

What is the SMILES notation for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one?

The canonical SMILES for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one is C1CNCOC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)CC1CCOCC1.CC(C)CCC1CCOCC1.CC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)CC1CCOCC1.CC(C)N1CCCC1=O.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NCCN(C)C.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCOC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCOCC1.CC(C)OCCN1CCN(C)CC1.CCC1CCCN(C)C1.CCC1CCCOC1.

What is the InChIKey of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one?

The InChIKey is BNJSMSQBRXMZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.2C10H20N2O.2C10H22N2.C10H21NO.C10H21N.C10H20O.C9H18N2O.2C9H19NO.C9H18O.C8H17N.2C8H16O2.C7H14N2O.C7H16N2.C7H18N2.C7H13NO.C7H14O.C4H9NO/c1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11(3)8-10-4-6-12-7-5-10;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-8(2)7-9-3-5-10-6-4-9;1-3-8-5-4-6-9(2)7-8;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-6-9(3)4;1-6(2)8-5-3-4-7(8)9;1-2-7-4-3-5-8-6-7;1-2-5-4-6-3-1/h10H,4-9H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);2*9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6H,3-5H2,1-2H3;7H,2-6H2,1H3;5H,1-4H2.

What are the key properties of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one?

N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 3150.13 g/mol, XLogP of 26.74, 40 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 157402993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).