3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol

C11H23NO — CID 97030264

IUPAC3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
SMILESC[C@@H]1CC[C@H](NCCCO)C[C@@H]1C
InChIInChI=1S/C11H23NO/c1-9-4-5-11(8-10(9)2)12-6-3-7-13/h9-13H,3-8H2,1-2H3/t9-,10+,11+/m1/s1
InChIKeyUDUXOSNPQPHELM-VWYCJHECSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds4

About 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol

3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol (PubChem CID 97030264) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
PubChem CID97030264
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
SMILESC[C@@H]1CC[C@H](NCCCO)C[C@@H]1C
InChIInChI=1S/C11H23NO/c1-9-4-5-11(8-10(9)2)12-6-3-7-13/h9-13H,3-8H2,1-2H3/t9-,10+,11+/m1/s1
InChIKeyUDUXOSNPQPHELM-VWYCJHECSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-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

5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol
CID 64741111
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
(1S,3S,4S)-N-(2-methoxyethyl)-3,4-dimethylcyclohexan-1-amine
CID 96732311
tert-butyl N-[3-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354
3-[3-(cyclopropylamino)propylamino]propan-1-ol
CID 149151310
(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
CID 96732492
3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
CID 64742875
4-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 64731694
N-(3,4-dimethylcyclohexyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64746812
3,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64746013
3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine
CID 104854149

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol?
The IUPAC name of 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol (CID 97030264) is 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol is C[C@@H]1CC[C@H](NCCCO)C[C@@H]1C.
What is the InChIKey of 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol?
The InChIKey is UDUXOSNPQPHELM-VWYCJHECSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-4-5-11(8-10(9)2)12-6-3-7-13/h9-13H,3-8H2,1-2H3/t9-,10+,11+/m1/s1.
What are the key properties of 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol?
3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 97030264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).