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

C16H26N2 — CID 20527639

IUPAC1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CN)CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-18(2)16(13-17)10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3
InChIKeyBJMCAFFTKOSBPL-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.68
Rot. Bonds4

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

1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine (PubChem CID 20527639) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
PubChem CID20527639
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CN)CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-18(2)16(13-17)10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3
InChIKeyBJMCAFFTKOSBPL-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide
CID 13052047
cyclopropylmethylbenzene;ethane;methane
CID 142248267
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid
CID 69439293
1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 62006551
5-benzyldiazepane
CID 154443129
4-benzyl-1-methylpiperidine;ethane
CID 142009767
[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500748
1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
CID 65091488
butane;cyclopentylmethylbenzene
CID 143522605

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine (CID 20527639) is 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine is CN(C)C1(CN)CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine?
The InChIKey is BJMCAFFTKOSBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-18(2)16(13-17)10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine?
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 20527639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).