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

C12H23NO — CID 62325451

IUPAC1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol
SMILESCCC(O)CNCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c1-2-12(14)10-13-9-8-11-6-4-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3
InChIKeyORRDVSJCAQHJIB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds6

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

1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol (PubChem CID 62325451) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol
PubChem CID62325451
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol
SMILESCCC(O)CNCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c1-2-12(14)10-13-9-8-11-6-4-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3
InChIKeyORRDVSJCAQHJIB-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol (CID 62325451) is 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol is CCC(O)CNCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol?
The InChIKey is ORRDVSJCAQHJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-12(14)10-13-9-8-11-6-4-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol?
1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 62325451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).