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

C16H26N2O — CID 117038147

IUPAC4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-17-13-16(19)10-8-15(9-11-16)18(2)12-14-6-4-3-5-7-14/h3-7,15,17,19H,8-13H2,1-2H3
InChIKeyJYNZHUTXDKNYIY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.01
Rot. Bonds5

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

4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 117038147) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol
PubChem CID117038147
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-17-13-16(19)10-8-15(9-11-16)18(2)12-14-6-4-3-5-7-14/h3-7,15,17,19H,8-13H2,1-2H3
InChIKeyJYNZHUTXDKNYIY-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol
CID 117038127
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039434
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039436
2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol
CID 158061780
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62418713
N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
CID 144654857
4-[(5-bromothiophen-2-yl)-methylamino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039437
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol (CID 117038147) is 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol is CNCC1(O)CCC(N(C)Cc2ccccc2)CC1.
What is the InChIKey of 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is JYNZHUTXDKNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-13-16(19)10-8-15(9-11-16)18(2)12-14-6-4-3-5-7-14/h3-7,15,17,19H,8-13H2,1-2H3.
What are the key properties of 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol?
4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 117038147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).