2-amino-3-methylcyclohexan-1-ol

C7H15NO — CID 12886902

IUPAC2-amino-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)C1N
InChIInChI=1S/C7H15NO/c1-5-3-2-4-6(9)7(5)8/h5-7,9H,2-4,8H2,1H3
InChIKeySODIDXLDSFHMMZ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.49
Rot. Bonds

About 2-amino-3-methylcyclohexan-1-ol

2-amino-3-methylcyclohexan-1-ol (PubChem CID 12886902) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-amino-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-3-methylcyclohexan-1-ol
PubChem CID12886902
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-amino-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)C1N
InChIInChI=1S/C7H15NO/c1-5-3-2-4-6(9)7(5)8/h5-7,9H,2-4,8H2,1H3
InChIKeySODIDXLDSFHMMZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylcyclohexan-1-ol?
The IUPAC name of 2-amino-3-methylcyclohexan-1-ol (CID 12886902) is 2-amino-3-methylcyclohexan-1-ol.
What is the SMILES notation for 2-amino-3-methylcyclohexan-1-ol?
The canonical SMILES for 2-amino-3-methylcyclohexan-1-ol is CC1CCCC(O)C1N.
What is the InChIKey of 2-amino-3-methylcyclohexan-1-ol?
The InChIKey is SODIDXLDSFHMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-3-2-4-6(9)7(5)8/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 2-amino-3-methylcyclohexan-1-ol?
2-amino-3-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 2-amino-3-methylcyclohexan-1-ol is sourced from PubChem (CID 12886902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).