[(1S,3S)-3-aminocyclohexyl]methanol

C7H15NO — CID 59401601

IUPAC[(1S,3S)-3-aminocyclohexyl]methanol
SMILESN[C@H]1CCC[C@H](CO)C1
InChIInChI=1S/C7H15NO/c8-7-3-1-2-6(4-7)5-9/h6-7,9H,1-5,8H2/t6-,7-/m0/s1
InChIKeyDFMNUVOZLQPWTG-BQBZGAKWSA-N
MW129.20 g/mol
LogP0.50
Rot. Bonds1

About [(1S,3S)-3-aminocyclohexyl]methanol

[(1S,3S)-3-aminocyclohexyl]methanol (PubChem CID 59401601) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is [(1S,3S)-3-aminocyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-3-aminocyclohexyl]methanol
PubChem CID59401601
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name[(1S,3S)-3-aminocyclohexyl]methanol
SMILESN[C@H]1CCC[C@H](CO)C1
InChIInChI=1S/C7H15NO/c8-7-3-1-2-6(4-7)5-9/h6-7,9H,1-5,8H2/t6-,7-/m0/s1
InChIKeyDFMNUVOZLQPWTG-BQBZGAKWSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-aminocyclohexyl]methanol?
The IUPAC name of [(1S,3S)-3-aminocyclohexyl]methanol (CID 59401601) is [(1S,3S)-3-aminocyclohexyl]methanol.
What is the SMILES notation for [(1S,3S)-3-aminocyclohexyl]methanol?
The canonical SMILES for [(1S,3S)-3-aminocyclohexyl]methanol is N[C@H]1CCC[C@H](CO)C1.
What is the InChIKey of [(1S,3S)-3-aminocyclohexyl]methanol?
The InChIKey is DFMNUVOZLQPWTG-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO/c8-7-3-1-2-6(4-7)5-9/h6-7,9H,1-5,8H2/t6-,7-/m0/s1.
What are the key properties of [(1S,3S)-3-aminocyclohexyl]methanol?
[(1S,3S)-3-aminocyclohexyl]methanol has a molecular weight of 129.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-aminocyclohexyl]methanol is sourced from PubChem (CID 59401601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).