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

C15H28N2O — CID 106173191

IUPAC1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCCC2=CCCC2)C1
InChIInChI=1S/C15H28N2O/c1-18-14-7-4-9-15(11-14,12-16)17-10-8-13-5-2-3-6-13/h5,14,17H,2-4,6-12,16H2,1H3
InChIKeyOZLWIXRHBXKWOR-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.36
Rot. Bonds6

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

1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine (PubChem CID 106173191) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine
PubChem CID106173191
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCCC2=CCCC2)C1
InChIInChI=1S/C15H28N2O/c1-18-14-7-4-9-15(11-14,12-16)17-10-8-13-5-2-3-6-13/h5,14,17H,2-4,6-12,16H2,1H3
InChIKeyOZLWIXRHBXKWOR-UHFFFAOYSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine (CID 106173191) is 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine is COC1CCCC(CN)(NCCC2=CCCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine?
The InChIKey is OZLWIXRHBXKWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-18-14-7-4-9-15(11-14,12-16)17-10-8-13-5-2-3-6-13/h5,14,17H,2-4,6-12,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine?
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 106173191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).