1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine

C16H26N2 — CID 65384214

IUPAC1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(NCc2ccccc2)CC1C
InChIInChI=1S/C16H26N2/c1-13-8-9-16(12-17,10-14(13)2)18-11-15-6-4-3-5-7-15/h3-7,13-14,18H,8-12,17H2,1-2H3
InChIKeyDKRYJBSDRLUWIB-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.93
Rot. Bonds4

About 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine (PubChem CID 65384214) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine
PubChem CID65384214
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(NCc2ccccc2)CC1C
InChIInChI=1S/C16H26N2/c1-13-8-9-16(12-17,10-14(13)2)18-11-15-6-4-3-5-7-15/h3-7,13-14,18H,8-12,17H2,1-2H3
InChIKeyDKRYJBSDRLUWIB-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine (CID 65384214) is 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine is CC1CCC(CN)(NCc2ccccc2)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine?
The InChIKey is DKRYJBSDRLUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-8-9-16(12-17,10-14(13)2)18-11-15-6-4-3-5-7-15/h3-7,13-14,18H,8-12,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65384214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).