(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol

C7H15NO — CID 124537900

IUPAC(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
SMILESC[C@@H]1C[C@@H](N)CC[C@@H]1O
InChIInChI=1S/C7H15NO/c1-5-4-6(8)2-3-7(5)9/h5-7,9H,2-4,8H2,1H3/t5-,6+,7+/m1/s1
InChIKeyGEVHPGXCGOVPDK-VQVTYTSYSA-N
MW129.20 g/mol
LogP0.49
Rot. Bonds

About (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol

(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol (PubChem CID 124537900) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
PubChem CID124537900
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
SMILESC[C@@H]1C[C@@H](N)CC[C@@H]1O
InChIInChI=1S/C7H15NO/c1-5-4-6(8)2-3-7(5)9/h5-7,9H,2-4,8H2,1H3/t5-,6+,7+/m1/s1
InChIKeyGEVHPGXCGOVPDK-VQVTYTSYSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane
CID 159718639
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1S,2S,4S)-2,4-diaminocyclohexan-1-ol
CID 55289345
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
CID 172581179
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
(1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride
CID 138629032
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 70333286
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
3-aminocyclopentan-1-ol;ethane
CID 144981128

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol?
The IUPAC name of (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol (CID 124537900) is (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol.
What is the SMILES notation for (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol?
The canonical SMILES for (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol is C[C@@H]1C[C@@H](N)CC[C@@H]1O.
What is the InChIKey of (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol?
The InChIKey is GEVHPGXCGOVPDK-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-4-6(8)2-3-7(5)9/h5-7,9H,2-4,8H2,1H3/t5-,6+,7+/m1/s1.
What are the key properties of (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol?
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol is sourced from PubChem (CID 124537900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).