3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol

C10H19NO — CID 13460670

IUPAC3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
SMILESCC(CN)(CO)C1=CCCCC1
InChIInChI=1S/C10H19NO/c1-10(7-11,8-12)9-5-3-2-4-6-9/h5,12H,2-4,6-8,11H2,1H3
InChIKeyIJWSLCRGXDXYBI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.44
Rot. Bonds3

About 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol

3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol (PubChem CID 13460670) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
PubChem CID13460670
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
SMILESCC(CN)(CO)C1=CCCCC1
InChIInChI=1S/C10H19NO/c1-10(7-11,8-12)9-5-3-2-4-6-9/h5,12H,2-4,6-8,11H2,1H3
InChIKeyIJWSLCRGXDXYBI-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol (CID 13460670) is 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol is CC(CN)(CO)C1=CCCCC1.
What is the InChIKey of 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol?
The InChIKey is IJWSLCRGXDXYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(7-11,8-12)9-5-3-2-4-6-9/h5,12H,2-4,6-8,11H2,1H3.
What are the key properties of 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol?
3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 13460670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).