3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol

C11H23NO — CID 96732218

IUPAC3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
SMILESC[C@@H]1CC(NCCCO)C[C@H](C)C1
InChIInChI=1S/C11H23NO/c1-9-6-10(2)8-11(7-9)12-4-3-5-13/h9-13H,3-8H2,1-2H3/t9-,10+,11?
InChIKeyQMMYVTFYROPTHM-ZACCUICWSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds4

About 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol

3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol (PubChem CID 96732218) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
PubChem CID96732218
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
SMILESC[C@@H]1CC(NCCCO)C[C@H](C)C1
InChIInChI=1S/C11H23NO/c1-9-6-10(2)8-11(7-9)12-4-3-5-13/h9-13H,3-8H2,1-2H3/t9-,10+,11?
InChIKeyQMMYVTFYROPTHM-ZACCUICWSA-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-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol with MolForge

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Related Compounds

4-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 64731694
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
CID 97030264
5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
CID 64734426
N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
CID 65093543
3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
CID 64750648
N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide
CID 103827919
(2R)-4-[[(3S,5S)-3,5-dimethylcyclohexyl]amino]butan-2-ol
CID 96784232
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64724806

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol?
The IUPAC name of 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol (CID 96732218) is 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol is C[C@@H]1CC(NCCCO)C[C@H](C)C1.
What is the InChIKey of 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol?
The InChIKey is QMMYVTFYROPTHM-ZACCUICWSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-6-10(2)8-11(7-9)12-4-3-5-13/h9-13H,3-8H2,1-2H3/t9-,10+,11?.
What are the key properties of 3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol?
3-[[(3R,5S)-3,5-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-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 96732218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).