1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol

C15H24N2O — CID 117038127

IUPAC1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol
SMILESCN(Cc1ccccc1)C1CCC(O)(CN)CC1
InChIInChI=1S/C15H24N2O/c1-17(11-13-5-3-2-4-6-13)14-7-9-15(18,12-16)10-8-14/h2-6,14,18H,7-12,16H2,1H3
InChIKeyHJJYEKSHNSJERI-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.75
Rot. Bonds4

About 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol

1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol (PubChem CID 117038127) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol
PubChem CID117038127
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol
SMILESCN(Cc1ccccc1)C1CCC(O)(CN)CC1
InChIInChI=1S/C15H24N2O/c1-17(11-13-5-3-2-4-6-13)14-7-9-15(18,12-16)10-8-14/h2-6,14,18H,7-12,16H2,1H3
InChIKeyHJJYEKSHNSJERI-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117038147
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol
CID 158061780
1-(aminomethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]cyclohexan-1-ol
CID 117039421
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
CID 144654857
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
2-(aminomethyl)-N-benzyl-N-methylbicyclo[3.1.0]hexan-2-amine
CID 130525662
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
CID 20527639
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol (CID 117038127) is 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol is CN(Cc1ccccc1)C1CCC(O)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is HJJYEKSHNSJERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(11-13-5-3-2-4-6-13)14-7-9-15(18,12-16)10-8-14/h2-6,14,18H,7-12,16H2,1H3.
What are the key properties of 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol?
1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 117038127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).