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

C16H26N2 — CID 43176319

IUPAC1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-14-7-6-10-16(11-14,13-17)18(2)12-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13,17H2,1-2H3
InChIKeyGEHWPHJSKLNXPA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds4

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

1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine (PubChem CID 43176319) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
PubChem CID43176319
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-14-7-6-10-16(11-14,13-17)18(2)12-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13,17H2,1-2H3
InChIKeyGEHWPHJSKLNXPA-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclizine
CID 6726
1-Benzylpiperazine
CID 75994
N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzhydrylpiperazine
CID 70048
Benzathine
CID 8793
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)
CID 2728761
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
1-Benzyl-4-methyl-piperazine
CID 763557
(+)-N-(Cyclopropylmethyl)-alpha-ethyl-N-methyl-alpha-((2E)-3-phenyl-2-propen-1-yl)benzenemethanamine
CID 6438340
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
3-Methylbenzylpiperazine
CID 79213
1-Methyl-3-phenylpiperazine
CID 2760009

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine (CID 43176319) is 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine is CC1CCCC(CN)(N(C)Cc2ccccc2)C1.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine?
The InChIKey is GEHWPHJSKLNXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-7-6-10-16(11-14,13-17)18(2)12-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43176319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).