1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine

C16H30N2 — CID 114153855

IUPAC1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(CN)(NCCC2=CCCC2)C1
InChIInChI=1S/C16H30N2/c1-2-14-8-5-10-16(12-14,13-17)18-11-9-15-6-3-4-7-15/h6,14,18H,2-5,7-13,17H2,1H3
InChIKeyNXCGDIXXEVVXKZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.37
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine

1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine (PubChem CID 114153855) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
PubChem CID114153855
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(CN)(NCCC2=CCCC2)C1
InChIInChI=1S/C16H30N2/c1-2-14-8-5-10-16(12-14,13-17)18-11-9-15-6-3-4-7-15/h6,14,18H,2-5,7-13,17H2,1H3
InChIKeyNXCGDIXXEVVXKZ-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 106173193
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclobutan-1-amine
CID 106173190
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 106173434
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine
CID 106173472
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
CID 106173479
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 106173363
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
CID 106173343
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine
CID 114153856
1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine
CID 102697177
1-(aminomethyl)-N-cyclohexyl-3-ethylcyclohexan-1-amine
CID 65383479
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine
CID 106872752

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine (CID 114153855) is 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(CN)(NCCC2=CCCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine?
The InChIKey is NXCGDIXXEVVXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-14-8-5-10-16(12-14,13-17)18-11-9-15-6-3-4-7-15/h6,14,18H,2-5,7-13,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine?
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 114153855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).