3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine

C16H26N2O — CID 57130002

IUPAC3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine
SMILESCON(CCc1ccccc1)C1CCCC(CN)C1
InChIInChI=1S/C16H26N2O/c1-19-18(11-10-14-6-3-2-4-7-14)16-9-5-8-15(12-16)13-17/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyQKHSPBVFOVWEJY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.61
Rot. Bonds6

About 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine

3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine (PubChem CID 57130002) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine
PubChem CID57130002
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine
SMILESCON(CCc1ccccc1)C1CCCC(CN)C1
InChIInChI=1S/C16H26N2O/c1-19-18(11-10-14-6-3-2-4-7-14)16-9-5-8-15(12-16)13-17/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyQKHSPBVFOVWEJY-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine?
The IUPAC name of 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine (CID 57130002) is 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine is CON(CCc1ccccc1)C1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine?
The InChIKey is QKHSPBVFOVWEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-18(11-10-14-6-3-2-4-7-14)16-9-5-8-15(12-16)13-17/h2-4,6-7,15-16H,5,8-13,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine?
3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methoxy-N-(2-phenylethyl)cyclohexan-1-amine is sourced from PubChem (CID 57130002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).