2-N-benzyl-1-N-methylcyclohexane-1,2-diamine

C14H22N2 — CID 149139761

IUPAC2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCc1ccccc1
InChIInChI=1S/C14H22N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-4,7-8,13-16H,5-6,9-11H2,1H3
InChIKeyRHNBMPYDQHIAGX-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.31
Rot. Bonds4

About 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine

2-N-benzyl-1-N-methylcyclohexane-1,2-diamine (PubChem CID 149139761) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
PubChem CID149139761
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCc1ccccc1
InChIInChI=1S/C14H22N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-4,7-8,13-16H,5-6,9-11H2,1H3
InChIKeyRHNBMPYDQHIAGX-UHFFFAOYSA-N
XLogP2.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
1-N-methyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 170325151
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
CID 122225965
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
trans-(1R,2R)-1-N-benzyl-2-N,2-N-diethylcyclohexane-1,2-diamine
CID 101206907
2-N-benzyl-1-N,1-N-dimethylcycloheptane-1,2-diamine;dihydrochloride
CID 23349763
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
N-benzyl-2-methylpiperidin-3-amine
CID 131060344

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine (CID 149139761) is 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine is CNC1CCCCC1NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine?
The InChIKey is RHNBMPYDQHIAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-4,7-8,13-16H,5-6,9-11H2,1H3.
What are the key properties of 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine?
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 149139761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).