2-amino-4,5-dimethylcyclohexan-1-ol

C8H17NO — CID 13425492

IUPAC2-amino-4,5-dimethylcyclohexan-1-ol
SMILESCC1CC(N)C(O)CC1C
InChIInChI=1S/C8H17NO/c1-5-3-7(9)8(10)4-6(5)2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyALQOCHJHOKPYMP-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.74
Rot. Bonds

About 2-amino-4,5-dimethylcyclohexan-1-ol

2-amino-4,5-dimethylcyclohexan-1-ol (PubChem CID 13425492) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-amino-4,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-4,5-dimethylcyclohexan-1-ol
PubChem CID13425492
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-amino-4,5-dimethylcyclohexan-1-ol
SMILESCC1CC(N)C(O)CC1C
InChIInChI=1S/C8H17NO/c1-5-3-7(9)8(10)4-6(5)2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyALQOCHJHOKPYMP-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

NoName_3502
CID 57127015
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CID 11528385
2-Amino-4-tert-butylcyclohexan-1-ol
CID 44287735
2-Amino-5-(4-fluoro-2,4-dimethylpentan-2-yl)cyclohexan-1-ol
CID 137507631
cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol
CID 142172486
2-Amino-5-(2-fluoroethyl)cyclohexan-1-ol
CID 143177892
2-Naphthalenol, 3-aminodecahydro-, (2alpha,3beta,4aalpha,8abeta)-
CID 141530
2-Amino-4-ethylcyclohexan-1-ol
CID 20531916
2-Amino-5-ethylcyclohexan-1-ol
CID 20531917
(1R,2R,4R,5S)-2-azido-4,5-dimethylcyclohexan-1-ol
CID 59107300
(3S)-3-amino-5-cyclohexylpentan-2-ol
CID 59614801
cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol
CID 67658111

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-amino-4,5-dimethylcyclohexan-1-ol (CID 13425492) is 2-amino-4,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-amino-4,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-amino-4,5-dimethylcyclohexan-1-ol is CC1CC(N)C(O)CC1C.
What is the InChIKey of 2-amino-4,5-dimethylcyclohexan-1-ol?
The InChIKey is ALQOCHJHOKPYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-3-7(9)8(10)4-6(5)2/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethylcyclohexan-1-ol?
2-amino-4,5-dimethylcyclohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 13425492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).