1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine

C151H316N28O15 — CID 158833060

About 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine

1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine (PubChem CID 158833060) has the molecular formula C151H316N28O15 and a molecular weight of 2764.37 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine.

Molecular Properties

• Compound Name: 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine
• PubChem CID: 158833060
• Molecular Formula: C151H316N28O15
• Molecular Weight: 2764.37 g/mol
• Exact Mass: 2762.48
• IUPAC Name: 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine
• SMILES: CC(C)C(=O)CCCN1CCCCC1.CC(C)C(=O)N1CC(N)C1.CC(C)C(=O)NC1CCCNC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NCCN(C)C.CC(C)C(=O)NCCN1C(C)CCCC1C.CC(C)C(=O)NCCN1CCCCC1.CC(C)C(=O)NCCN1CCN(C)CC1.CC(C)C(=O)NCCN1CCOCC1.CC(C)COCCN1CCCCC1.CC(C)N.CC(CN(C)C)NC(=O)C(C)C.CCC(C)C.CCN(C)CCNC(=O)C(C)C.CCN(CC)C1CCN(C(=O)C(C)C)CC1.CCN(CC)CCNC(=O)C(C)C
• InChI: InChI=1S/2C13H26N2O.C12H23NO.C11H23N3O.C11H22N2O.C11H23NO.C10H20N2O2.C10H20N2O.C10H22N2O.C9H18N2O.2C9H20N2O.C8H18N2O.C7H14N2O.C5H12.C3H9N/c1-10(2)13(16)14-8-9-15-11(3)6-5-7-12(15)4;1-5-14(6-2)12-7-9-15(10-8-12)13(16)11(3)4;1-11(2)12(14)7-6-10-13-8-4-3-5-9-13;1-10(2)11(15)12-4-5-14-8-6-13(3)7-9-14;1-10(2)11(14)12-6-9-13-7-4-3-5-8-13;1-11(2)10-13-9-8-12-6-4-3-5-7-12;1-9(2)10(13)11-3-4-12-5-7-14-8-6-12;1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-5-12(6-2)8-7-11-10(13)9(3)4;1-7(2)9(12)11-8-4-3-5-10-6-8;1-7(2)9(12)10-8(3)6-11(4)5;1-5-11(4)7-6-10-9(12)8(2)3;1-7(2)8(11)9-5-6-10(3)4;1-5(2)7(10)9-3-6(8)4-9;1-4-5(2)3;1-3(2)4/h10-12H,5-9H2,1-4H3,(H,14,16);11-12H,5-10H2,1-4H3;11H,3-10H2,1-2H3;10H,4-9H2,1-3H3,(H,12,15);10H,3-9H2,1-2H3,(H,12,14);11H,3-10H2,1-2H3;9H,3-8H2,1-2H3,(H,11,13);8-9H,4-7H2,1-3H3,(H,11,13);9H,5-8H2,1-4H3,(H,11,13);7-8,10H,3-6H2,1-2H3,(H,11,12);7-8H,6H2,1-5H3,(H,10,12);8H,5-7H2,1-4H3,(H,10,12);7H,5-6H2,1-4H3,(H,9,11);5-6H,3-4,8H2,1-2H3;5H,4H2,1-3H3;3H,4H2,1-2H3
• InChIKey: IXHDFGZLXFJACY-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 473.34 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 55
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2764.37
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine?

The IUPAC name of 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine (CID 158833060) is 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine.

What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine?

The canonical SMILES for 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine is CC(C)C(=O)CCCN1CCCCC1.CC(C)C(=O)N1CC(N)C1.CC(C)C(=O)NC1CCCNC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NCCN(C)C.CC(C)C(=O)NCCN1C(C)CCCC1C.CC(C)C(=O)NCCN1CCCCC1.CC(C)C(=O)NCCN1CCN(C)CC1.CC(C)C(=O)NCCN1CCOCC1.CC(C)COCCN1CCCCC1.CC(C)N.CC(CN(C)C)NC(=O)C(C)C.CCC(C)C.CCN(C)CCNC(=O)C(C)C.CCN(CC)C1CCN(C(=O)C(C)C)CC1.CCN(CC)CCNC(=O)C(C)C.

What is the InChIKey of 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine?

The InChIKey is IXHDFGZLXFJACY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2O.C12H23NO.C11H23N3O.C11H22N2O.C11H23NO.C10H20N2O2.C10H20N2O.C10H22N2O.C9H18N2O.2C9H20N2O.C8H18N2O.C7H14N2O.C5H12.C3H9N/c1-10(2)13(16)14-8-9-15-11(3)6-5-7-12(15)4;1-5-14(6-2)12-7-9-15(10-8-12)13(16)11(3)4;1-11(2)12(14)7-6-10-13-8-4-3-5-9-13;1-10(2)11(15)12-4-5-14-8-6-13(3)7-9-14;1-10(2)11(14)12-6-9-13-7-4-3-5-8-13;1-11(2)10-13-9-8-12-6-4-3-5-7-12;1-9(2)10(13)11-3-4-12-5-7-14-8-6-12;1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-5-12(6-2)8-7-11-10(13)9(3)4;1-7(2)9(12)11-8-4-3-5-10-6-8;1-7(2)9(12)10-8(3)6-11(4)5;1-5-11(4)7-6-10-9(12)8(2)3;1-7(2)8(11)9-5-6-10(3)4;1-5(2)7(10)9-3-6(8)4-9;1-4-5(2)3;1-3(2)4/h10-12H,5-9H2,1-4H3,(H,14,16);11-12H,5-10H2,1-4H3;11H,3-10H2,1-2H3;10H,4-9H2,1-3H3,(H,12,15);10H,3-9H2,1-2H3,(H,12,14);11H,3-10H2,1-2H3;9H,3-8H2,1-2H3,(H,11,13);8-9H,4-7H2,1-3H3,(H,11,13);9H,5-8H2,1-4H3,(H,11,13);7-8,10H,3-6H2,1-2H3,(H,11,12);7-8H,6H2,1-5H3,(H,10,12);8H,5-7H2,1-4H3,(H,10,12);7H,5-6H2,1-4H3,(H,9,11);5-6H,3-4,8H2,1-2H3;5H,4H2,1-3H3;3H,4H2,1-2H3.

What are the key properties of 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine?

1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine has a molecular weight of 2764.37 g/mol, XLogP of 16.38, 55 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine is sourced from PubChem (CID 158833060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).