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

C7H15NO — CID 67658111

IUPACcis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol
SMILESCC1CC[C@@H](O)[C@@H](N)C1
InChIInChI=1S/C7H15NO/c1-5-2-3-7(9)6(8)4-5/h5-7,9H,2-4,8H2,1H3/t5?,6-,7+/m0/s1
InChIKeyYUUPBWOVKNLYIW-BOJSHJERSA-N
MW129.20 g/mol
LogP0.49
Rot. Bonds

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

cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol (PubChem CID 67658111) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol
PubChem CID67658111
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namecis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol
SMILESCC1CC[C@@H](O)[C@@H](N)C1
InChIInChI=1S/C7H15NO/c1-5-2-3-7(9)6(8)4-5/h5-7,9H,2-4,8H2,1H3/t5?,6-,7+/m0/s1
InChIKeyYUUPBWOVKNLYIW-BOJSHJERSA-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 cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol (CID 67658111) is cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol is CC1CC[C@@H](O)[C@@H](N)C1.
What is the InChIKey of cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol?
The InChIKey is YUUPBWOVKNLYIW-BOJSHJERSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-2-3-7(9)6(8)4-5/h5-7,9H,2-4,8H2,1H3/t5?,6-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol?
cis-(1R,2S)-2-amino-4-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 cis-(1R,2S)-2-amino-4-methylcyclohexan-1-ol is sourced from PubChem (CID 67658111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).