4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol

C12H23NO — CID 3144575

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol
SMILESOCCCCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c14-11-5-4-9-13-10-8-12-6-2-1-3-7-12/h6,13-14H,1-5,7-11H2
InChIKeyZUCMDRAQTBQWBN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds7

About 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol

4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol (PubChem CID 3144575) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol
PubChem CID3144575
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol
SMILESOCCCCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c14-11-5-4-9-13-10-8-12-6-2-1-3-7-12/h6,13-14H,1-5,7-11H2
InChIKeyZUCMDRAQTBQWBN-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
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 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol (CID 3144575) is 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol is OCCCCNCCC1=CCCCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol?
The InChIKey is ZUCMDRAQTBQWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c14-11-5-4-9-13-10-8-12-6-2-1-3-7-12/h6,13-14H,1-5,7-11H2.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol?
4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 3144575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).