N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine

C138H265FN28O6S — CID 157229189

About N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine

N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine (PubChem CID 157229189) has the molecular formula C138H265FN28O6S and a molecular weight of 2463.89 g/mol. Its IUPAC name is N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine.

Molecular Properties

• Compound Name: N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine
• PubChem CID: 157229189
• Molecular Formula: C138H265FN28O6S
• Molecular Weight: 2463.89 g/mol
• Exact Mass: 2462.10
• IUPAC Name: N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine
• SMILES: CC(=O)NCCN.CC(C)CCN.CC(C)OCCCN.CCCCCN.CCN(CC)CCCN.CN(C)CC(C)(C)CN.COCCCN.C[C@@H](N)C1CCCCC1.C[C@H](N)c1ccccc1.Cc1ccccc1CN.NC1CCCCC1.NC1CCCCCC1.NC1CCCCCCC1.NCCC(=O)O.NCCC1=CCCCC1.NCCCn1ccnc1.NCCc1ccccc1.NCc1ccc(F)cc1.NCc1ccccc1.NCc1ccccn1.NCc1ccco1.NCc1cccs1
• InChI: InChI=1S/C8H11N.C8H17N.C8H11N.C8H15N.C8H11N.C8H17N.C7H8FN.2C7H18N2.C7H9N.C7H15N.C6H11N3.C6H8N2.C6H15NO.C6H13N.C5H7NO.C5H7NS.2C5H13N.C4H10N2O.C4H11NO.C3H7NO2/c1-7-4-2-3-5-8(7)6-9;2*1-7(9)8-5-3-2-4-6-8;2*9-7-6-8-4-2-1-3-5-8;9-8-6-4-2-1-3-5-7-8;8-7-3-1-6(5-9)2-4-7;1-7(2,5-8)6-9(3)4;1-3-9(4-2)7-5-6-8;8-6-7-4-2-1-3-5-7;8-7-5-3-1-2-4-6-7;7-2-1-4-9-5-3-8-6-9;7-5-6-3-1-2-4-8-6;1-6(2)8-5-3-4-7;7-6-4-2-1-3-5-6;2*6-4-5-2-1-3-7-5;1-5(2)3-4-6;1-2-3-4-5-6;1-4(7)6-3-2-5;1-6-4-2-3-5;4-2-1-3(5)6/h2-5H,6,9H2,1H3;7-8H,2-6,9H2,1H3;2-7H,9H2,1H3;4H,1-3,5-7,9H2;1-5H,6-7,9H2;8H,1-7,9H2;1-4H,5,9H2;5-6,8H2,1-4H3;3-8H2,1-2H3;1-5H,6,8H2;7H,1-6,8H2;3,5-6H,1-2,4,7H2;1-4H,5,7H2;6H,3-5,7H2,1-2H3;6H,1-5,7H2;2*1-3H,4,6H2;5H,3-4,6H2,1-2H3;2-6H2,1H3;2-3,5H2,1H3,(H,6,7);2-5H2,1H3;1-2,4H2,(H,5,6)/t;2*7-;;;;;;;;;;;;;;;;;;;/m.10.................../s1
• InChIKey: ATXHVOHZTWMRLA-HYESSFMGSA-N
• XLogP: 20.83
• TPSA: 707.63 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 33
• Rotatable Bonds: 39
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2463.89
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine?

The IUPAC name of N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine (CID 157229189) is N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine.

What is the SMILES notation for N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine?

The canonical SMILES for N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine is CC(=O)NCCN.CC(C)CCN.CC(C)OCCCN.CCCCCN.CCN(CC)CCCN.CN(C)CC(C)(C)CN.COCCCN.C[C@@H](N)C1CCCCC1.C[C@H](N)c1ccccc1.Cc1ccccc1CN.NC1CCCCC1.NC1CCCCCC1.NC1CCCCCCC1.NCCC(=O)O.NCCC1=CCCCC1.NCCCn1ccnc1.NCCc1ccccc1.NCc1ccc(F)cc1.NCc1ccccc1.NCc1ccccn1.NCc1ccco1.NCc1cccs1.

What is the InChIKey of N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine?

The InChIKey is ATXHVOHZTWMRLA-HYESSFMGSA-N. The full InChI is InChI=1S/C8H11N.C8H17N.C8H11N.C8H15N.C8H11N.C8H17N.C7H8FN.2C7H18N2.C7H9N.C7H15N.C6H11N3.C6H8N2.C6H15NO.C6H13N.C5H7NO.C5H7NS.2C5H13N.C4H10N2O.C4H11NO.C3H7NO2/c1-7-4-2-3-5-8(7)6-9;2*1-7(9)8-5-3-2-4-6-8;2*9-7-6-8-4-2-1-3-5-8;9-8-6-4-2-1-3-5-7-8;8-7-3-1-6(5-9)2-4-7;1-7(2,5-8)6-9(3)4;1-3-9(4-2)7-5-6-8;8-6-7-4-2-1-3-5-7;8-7-5-3-1-2-4-6-7;7-2-1-4-9-5-3-8-6-9;7-5-6-3-1-2-4-8-6;1-6(2)8-5-3-4-7;7-6-4-2-1-3-5-6;2*6-4-5-2-1-3-7-5;1-5(2)3-4-6;1-2-3-4-5-6;1-4(7)6-3-2-5;1-6-4-2-3-5;4-2-1-3(5)6/h2-5H,6,9H2,1H3;7-8H,2-6,9H2,1H3;2-7H,9H2,1H3;4H,1-3,5-7,9H2;1-5H,6-7,9H2;8H,1-7,9H2;1-4H,5,9H2;5-6,8H2,1-4H3;3-8H2,1-2H3;1-5H,6,8H2;7H,1-6,8H2;3,5-6H,1-2,4,7H2;1-4H,5,7H2;6H,3-5,7H2,1-2H3;6H,1-5,7H2;2*1-3H,4,6H2;5H,3-4,6H2,1-2H3;2-6H2,1H3;2-3,5H2,1H3,(H,6,7);2-5H2,1H3;1-2,4H2,(H,5,6)/t;2*7-;;;;;;;;;;;;;;;;;;;/m.10.................../s1.

What are the key properties of N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine?

N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine has a molecular weight of 2463.89 g/mol, XLogP of 20.83, 39 rotatable bonds, 24 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)acetamide;3-aminopropanoic acid;cycloheptanamine;cyclohexanamine;2-(cyclohexen-1-yl)ethanamine;(1R)-1-cyclohexylethanamine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;3-imidazol-1-ylpropan-1-amine;3-methoxypropan-1-amine;3-methylbutan-1-amine;(2-methylphenyl)methanamine;pentan-1-amine;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;3-propan-2-yloxypropan-1-amine;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine;thiophen-2-ylmethanamine is sourced from PubChem (CID 157229189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).