[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol

C8H15NO — CID 15247348

IUPAC[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol
SMILESNC[C@H]1CC=CC[C@H]1CO
InChIInChI=1S/C8H15NO/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-8,10H,3-6,9H2/t7-,8+/m1/s1
InChIKeyAVYNUIAPXAVQAS-SFYZADRCSA-N
MW141.21 g/mol
LogP0.52
Rot. Bonds2

About [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol

[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 15247348) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol
PubChem CID15247348
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol
SMILESNC[C@H]1CC=CC[C@H]1CO
InChIInChI=1S/C8H15NO/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-8,10H,3-6,9H2/t7-,8+/m1/s1
InChIKeyAVYNUIAPXAVQAS-SFYZADRCSA-N
XLogP0.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol (CID 15247348) is [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol is NC[C@H]1CC=CC[C@H]1CO.
What is the InChIKey of [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is AVYNUIAPXAVQAS-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-8,10H,3-6,9H2/t7-,8+/m1/s1.
What are the key properties of [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol?
[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 15247348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).