2-[cyclohexylmethyl(methyl)amino]propan-1-ol

C11H23NO — CID 115772276

IUPAC2-[cyclohexylmethyl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CC1CCCCC1
InChIInChI=1S/C11H23NO/c1-10(9-13)12(2)8-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3
InChIKeyWCBJEIQICDMYGK-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds4

About 2-[cyclohexylmethyl(methyl)amino]propan-1-ol

2-[cyclohexylmethyl(methyl)amino]propan-1-ol (PubChem CID 115772276) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]propan-1-ol
PubChem CID115772276
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[cyclohexylmethyl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CC1CCCCC1
InChIInChI=1S/C11H23NO/c1-10(9-13)12(2)8-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3
InChIKeyWCBJEIQICDMYGK-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
N-(cyclohexylmethyl)-1-iodo-N-methylethanamine
CID 154988433
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64819128
1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568202
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
CID 95121560
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
3-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]propan-1-ol (CID 115772276) is 2-[cyclohexylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]propan-1-ol is CC(CO)N(C)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]propan-1-ol?
The InChIKey is WCBJEIQICDMYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(9-13)12(2)8-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]propan-1-ol?
2-[cyclohexylmethyl(methyl)amino]propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 115772276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).