[[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol

C8H15NO — CID 149373852

IUPAC[[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol
SMILESC[C@H]1C=CC[C@@H](NCO)C1
InChIInChI=1S/C8H15NO/c1-7-3-2-4-8(5-7)9-6-10/h2-3,7-10H,4-6H2,1H3/t7-,8+/m0/s1
InChIKeyYKIRRRAJWDEYCA-JGVFFNPUSA-N
MW141.21 g/mol
LogP0.88
Rot. Bonds2

About [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol

[[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol (PubChem CID 149373852) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol.

Molecular Properties

Compound Name[[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol
PubChem CID149373852
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol
SMILESC[C@H]1C=CC[C@@H](NCO)C1
InChIInChI=1S/C8H15NO/c1-7-3-2-4-8(5-7)9-6-10/h2-3,7-10H,4-6H2,1H3/t7-,8+/m0/s1
InChIKeyYKIRRRAJWDEYCA-JGVFFNPUSA-N
XLogP0.88
TPSA32.26 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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol?
The IUPAC name of [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol (CID 149373852) is [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol.
What is the SMILES notation for [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol?
The canonical SMILES for [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol is C[C@H]1C=CC[C@@H](NCO)C1.
What is the InChIKey of [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol?
The InChIKey is YKIRRRAJWDEYCA-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-3-2-4-8(5-7)9-6-10/h2-3,7-10H,4-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol?
[[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol is sourced from PubChem (CID 149373852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).