cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol

C8H17NO — CID 25015095

IUPACcis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
SMILESC[C@H]1CCC[C@@](O)(CN)C1
InChIInChI=1S/C8H17NO/c1-7-3-2-4-8(10,5-7)6-9/h7,10H,2-6,9H2,1H3/t7-,8-/m0/s1
InChIKeyHCXBYIHIMJUDJQ-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.89
Rot. Bonds1

About cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol

cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol (PubChem CID 25015095) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
PubChem CID25015095
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
SMILESC[C@H]1CCC[C@@](O)(CN)C1
InChIInChI=1S/C8H17NO/c1-7-3-2-4-8(10,5-7)6-9/h7,10H,2-6,9H2,1H3/t7-,8-/m0/s1
InChIKeyHCXBYIHIMJUDJQ-YUMQZZPRSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-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

(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 103390168
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 104549990
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
3-methyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567780
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
CID 115754155

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol?
The IUPAC name of cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol (CID 25015095) is cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol is C[C@H]1CCC[C@@](O)(CN)C1.
What is the InChIKey of cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol?
The InChIKey is HCXBYIHIMJUDJQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-3-2-4-8(10,5-7)6-9/h7,10H,2-6,9H2,1H3/t7-,8-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol?
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol is sourced from PubChem (CID 25015095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).