3-(cyclohexen-1-ylmethylamino)propan-1-ol

C10H19NO — CID 71347622

IUPAC3-(cyclohexen-1-ylmethylamino)propan-1-ol
SMILESOCCCNCC1=CCCCC1
InChIInChI=1S/C10H19NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h5,11-12H,1-4,6-9H2
InChIKeyHGDYMOKUPCSDFL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds5

About 3-(cyclohexen-1-ylmethylamino)propan-1-ol

3-(cyclohexen-1-ylmethylamino)propan-1-ol (PubChem CID 71347622) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(cyclohexen-1-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(cyclohexen-1-ylmethylamino)propan-1-ol
PubChem CID71347622
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(cyclohexen-1-ylmethylamino)propan-1-ol
SMILESOCCCNCC1=CCCCC1
InChIInChI=1S/C10H19NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h5,11-12H,1-4,6-9H2
InChIKeyHGDYMOKUPCSDFL-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
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-(cyclohexen-1-ylmethylamino)propan-1-ol?
The IUPAC name of 3-(cyclohexen-1-ylmethylamino)propan-1-ol (CID 71347622) is 3-(cyclohexen-1-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(cyclohexen-1-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-(cyclohexen-1-ylmethylamino)propan-1-ol is OCCCNCC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-ylmethylamino)propan-1-ol?
The InChIKey is HGDYMOKUPCSDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h5,11-12H,1-4,6-9H2.
What are the key properties of 3-(cyclohexen-1-ylmethylamino)propan-1-ol?
3-(cyclohexen-1-ylmethylamino)propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-ylmethylamino)propan-1-ol is sourced from PubChem (CID 71347622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).