trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol

C8H17NO — CID 91701319

IUPACtrans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
SMILESCN(C)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C8H17NO/c1-9(2)7-4-3-5-8(10)6-7/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyPYYBPWSWSPMKTL-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds1

About trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol

trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol (PubChem CID 91701319) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
PubChem CID91701319
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nametrans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
SMILESCN(C)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C8H17NO/c1-9(2)7-4-3-5-8(10)6-7/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyPYYBPWSWSPMKTL-YUMQZZPRSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 79618999
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
CID 79619325
3-[methyl(oxolan-3-yl)amino]cyclohexan-1-ol
CID 82749082
3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol
CID 79619422
3-[methyl(2-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 79619328
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238
[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol
CID 131020197

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol (CID 91701319) is trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol is CN(C)[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol?
The InChIKey is PYYBPWSWSPMKTL-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-9(2)7-4-3-5-8(10)6-7/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol?
trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol is sourced from PubChem (CID 91701319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).