3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol

C10H19NO — CID 79137824

IUPAC3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol
SMILESCC(CN)C(O)C1CC=CCC1
InChIInChI=1S/C10H19NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-3,8-10,12H,4-7,11H2,1H3
InChIKeyZLFNLKIMIGTXGU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol

3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol (PubChem CID 79137824) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol
PubChem CID79137824
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol
SMILESCC(CN)C(O)C1CC=CCC1
InChIInChI=1S/C10H19NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-3,8-10,12H,4-7,11H2,1H3
InChIKeyZLFNLKIMIGTXGU-UHFFFAOYSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.30
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 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol (CID 79137824) is 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol is CC(CN)C(O)C1CC=CCC1.
What is the InChIKey of 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol?
The InChIKey is ZLFNLKIMIGTXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-3,8-10,12H,4-7,11H2,1H3.
What are the key properties of 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol?
3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohex-3-en-1-yl-2-methylpropan-1-ol is sourced from PubChem (CID 79137824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).