(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol

C10H21NO — CID 93082959

IUPAC(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
SMILESC[C@H]1CCC[C@H](N[C@@H](C)CO)C1
InChIInChI=1S/C10H21NO/c1-8-4-3-5-10(6-8)11-9(2)7-12/h8-12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyUZVYFDYGZKLSRG-GUBZILKMSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds3

About (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol

(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol (PubChem CID 93082959) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
PubChem CID93082959
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
SMILESC[C@H]1CCC[C@H](N[C@@H](C)CO)C1
InChIInChI=1S/C10H21NO/c1-8-4-3-5-10(6-8)11-9(2)7-12/h8-12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyUZVYFDYGZKLSRG-GUBZILKMSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol with MolForge

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Related Compounds

2-[(2-Ethylhexyl)amino]ethanol
CID 276971
2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol
CID 2947542
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
2-[(3-Methylcyclohexyl)(propyl)amino]ethanol
CID 2846703
1-(3-Methyl-cyclohexylamino)-propan-2-ol
CID 3151936
2-[(4-Ethylcyclohexyl)amino]ethan-1-ol
CID 33788242
2-[[(5-Amino-1,3,3-trimethylcyclohexyl)methyl]amino]ethanol
CID 3017677
3-[(4-Fluorocyclohexyl)methylamino]butan-2-ol
CID 89729225
(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
CID 140515379
(2S)-2-[[(S)-cyclopropyl-(3-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
CID 140515383
2-(Cyclohexylamino)propan-1-ol
CID 276947
2-[(2,6-Dimethylheptan-4-yl)amino]ethan-1-ol
CID 277620

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol (CID 93082959) is (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol is C[C@H]1CCC[C@H](N[C@@H](C)CO)C1.
What is the InChIKey of (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol?
The InChIKey is UZVYFDYGZKLSRG-GUBZILKMSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-4-3-5-10(6-8)11-9(2)7-12/h8-12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol?
(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 93082959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).