N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine

C145H272FN21O5S — CID 158165229

About N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine

N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 158165229) has the molecular formula C145H272FN21O5S and a molecular weight of 2440.98 g/mol. Its IUPAC name is N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine
• PubChem CID: 158165229
• Molecular Formula: C145H272FN21O5S
• Molecular Weight: 2440.98 g/mol
• Exact Mass: 2439.14
• IUPAC Name: N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine
• SMILES: CC(=O)NCCN.CC(C)C1CCCCC1.CC(C)CCN.CC(C)OCCCN.CC1CCCCC1.CC1CCCCCC1.CCCC1=CCCCC1.CCCCCC.CCCCN.CCN(CC)CCCN.CCc1ccccc1C.CCc1cccs1.CN(C)CC(C)(C)CN.C[C@H](N)c1ccccc1.NC1CCCCCCC1.NCCC(=O)O.NCCCn1ccnc1.NCCc1ccccc1.NCc1ccc(F)cc1.NCc1ccccc1.NCc1ccccn1.NCc1ccco1
• InChI: InChI=1S/C9H18.C9H12.C9H16.2C8H11N.C8H17N.C8H16.C7H8FN.2C7H18N2.C7H9N.C7H14.C6H11N3.C6H8N2.C6H15NO.C6H8S.C6H14.C5H7NO.C5H13N.C4H10N2O.C4H11N.C3H7NO2/c1-8(2)9-6-4-3-5-7-9;1-3-9-7-5-4-6-8(9)2;1-2-6-9-7-4-3-5-8-9;1-7(9)8-5-3-2-4-6-8;9-7-6-8-4-2-1-3-5-8;9-8-6-4-2-1-3-5-7-8;1-8-6-4-2-3-5-7-8;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;1-7-5-3-2-4-6-7;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;1-2-6-4-3-5-7-6;1-3-5-6-4-2;6-4-5-2-1-3-7-5;1-5(2)3-4-6;1-4(7)6-3-2-5;1-2-3-4-5;4-2-1-3(5)6/h8-9H,3-7H2,1-2H3;4-7H,3H2,1-2H3;7H,2-6,8H2,1H3;2-7H,9H2,1H3;1-5H,6-7,9H2;8H,1-7,9H2;8H,2-7H2,1H3;1-4H,5,9H2;5-6,8H2,1-4H3;3-8H2,1-2H3;1-5H,6,8H2;7H,2-6H2,1H3;3,5-6H,1-2,4,7H2;1-4H,5,7H2;6H,3-5,7H2,1-2H3;3-5H,2H2,1H3;3-6H2,1-2H3;1-3H,4,6H2;5H,3-4,6H2,1-2H3;2-3,5H2,1H3,(H,6,7);2-5H2,1H3;1-2,4H2,(H,5,6)/t;;;7-;;;;;;;;;;;;;;;;;;/m...0................../s1
• InChIKey: FWTINXYFJPLRII-ONXPQWGASA-N
• XLogP: 30.63
• TPSA: 516.26 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2440.98
LogP ≤ 5	30.63
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	25

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;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine?

The IUPAC name of N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine (CID 158165229) is N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine.

What is the SMILES notation for N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine?

The canonical SMILES for N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine is CC(=O)NCCN.CC(C)C1CCCCC1.CC(C)CCN.CC(C)OCCCN.CC1CCCCC1.CC1CCCCCC1.CCCC1=CCCCC1.CCCCCC.CCCCN.CCN(CC)CCCN.CCc1ccccc1C.CCc1cccs1.CN(C)CC(C)(C)CN.C[C@H](N)c1ccccc1.NC1CCCCCCC1.NCCC(=O)O.NCCCn1ccnc1.NCCc1ccccc1.NCc1ccc(F)cc1.NCc1ccccc1.NCc1ccccn1.NCc1ccco1.

What is the InChIKey of N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine?

The InChIKey is FWTINXYFJPLRII-ONXPQWGASA-N. The full InChI is InChI=1S/C9H18.C9H12.C9H16.2C8H11N.C8H17N.C8H16.C7H8FN.2C7H18N2.C7H9N.C7H14.C6H11N3.C6H8N2.C6H15NO.C6H8S.C6H14.C5H7NO.C5H13N.C4H10N2O.C4H11N.C3H7NO2/c1-8(2)9-6-4-3-5-7-9;1-3-9-7-5-4-6-8(9)2;1-2-6-9-7-4-3-5-8-9;1-7(9)8-5-3-2-4-6-8;9-7-6-8-4-2-1-3-5-8;9-8-6-4-2-1-3-5-7-8;1-8-6-4-2-3-5-7-8;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;1-7-5-3-2-4-6-7;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;1-2-6-4-3-5-7-6;1-3-5-6-4-2;6-4-5-2-1-3-7-5;1-5(2)3-4-6;1-4(7)6-3-2-5;1-2-3-4-5;4-2-1-3(5)6/h8-9H,3-7H2,1-2H3;4-7H,3H2,1-2H3;7H,2-6,8H2,1H3;2-7H,9H2,1H3;1-5H,6-7,9H2;8H,1-7,9H2;8H,2-7H2,1H3;1-4H,5,9H2;5-6,8H2,1-4H3;3-8H2,1-2H3;1-5H,6,8H2;7H,2-6H2,1H3;3,5-6H,1-2,4,7H2;1-4H,5,7H2;6H,3-5,7H2,1-2H3;3-5H,2H2,1H3;3-6H2,1-2H3;1-3H,4,6H2;5H,3-4,6H2,1-2H3;2-3,5H2,1H3,(H,6,7);2-5H2,1H3;1-2,4H2,(H,5,6)/t;;;7-;;;;;;;;;;;;;;;;;;/m...0................../s1.

What are the key properties of N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine?

N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 2440.98 g/mol, XLogP of 30.63, 38 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)acetamide;3-aminopropanoic acid;butan-1-amine;cyclooctanamine;N',N'-diethylpropane-1,3-diamine;1-ethyl-2-methylbenzene;2-ethylthiophene;(4-fluorophenyl)methanamine;furan-2-ylmethanamine;hexane;3-imidazol-1-ylpropan-1-amine;3-methylbutan-1-amine;methylcycloheptane;methylcyclohexane;(1S)-1-phenylethanamine;2-phenylethanamine;phenylmethanamine;propan-2-ylcyclohexane;3-propan-2-yloxypropan-1-amine;1-propylcyclohexene;pyridin-2-ylmethanamine;N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 158165229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).