3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol

C11H21NO — CID 60674340

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol
SMILESOCCCNCCC1=CCCCC1
InChIInChI=1S/C11H21NO/c13-10-4-8-12-9-7-11-5-2-1-3-6-11/h5,12-13H,1-4,6-10H2
InChIKeyGVGSRPWLSIHDOM-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds6

About 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol

3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol (PubChem CID 60674340) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol
PubChem CID60674340
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol
SMILESOCCCNCCC1=CCCCC1
InChIInChI=1S/C11H21NO/c13-10-4-8-12-9-7-11-5-2-1-3-6-11/h5,12-13H,1-4,6-10H2
InChIKeyGVGSRPWLSIHDOM-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol (CID 60674340) is 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol is OCCCNCCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol?
The InChIKey is GVGSRPWLSIHDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-10-4-8-12-9-7-11-5-2-1-3-6-11/h5,12-13H,1-4,6-10H2.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol?
3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 60674340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).