1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine

C18H30N2 — CID 62006937

IUPAC1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CCCc2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-16-8-6-12-18(14-16,15-19)20(2)13-7-11-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15,19H2,1-2H3
InChIKeyMIFZWSPKKZQBED-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine

1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine (PubChem CID 62006937) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
PubChem CID62006937
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CCCc2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-16-8-6-12-18(14-16,15-19)20(2)13-7-11-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15,19H2,1-2H3
InChIKeyMIFZWSPKKZQBED-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine (CID 62006937) is 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine is CC1CCCC(CN)(N(C)CCCc2ccccc2)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The InChIKey is MIFZWSPKKZQBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-16-8-6-12-18(14-16,15-19)20(2)13-7-11-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 62006937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).