2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium

C12H24NO+ — CID 7172219

IUPAC2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium
SMILESOCCCC[NH2+]CCC1=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/p+1
InChIKeyZUCMDRAQTBQWBN-UHFFFAOYSA-O
MW198.33 g/mol
LogP1.21
Rot. Bonds7

About 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium

2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium (PubChem CID 7172219) has the molecular formula C12H24NO+ and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium
PubChem CID7172219
Molecular FormulaC12H24NO+
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Name2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium
SMILESOCCCC[NH2+]CCC1=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/p+1
InChIKeyZUCMDRAQTBQWBN-UHFFFAOYSA-O
XLogP1.21
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclododecen-1-ylmethanol
CID 70464862
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-butylcyclononene
CID 56981158
dichloro-[2-(cyclohexen-1-yl)ethyl]silane
CID 154202254
4-(cyclohexen-1-yl)butanamide
CID 165359181
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
1-hexylcycloheptene
CID 15587826
1-hex-5-enylcyclohexene
CID 123683483
1-nonylcyclooctene
CID 151486862

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium?
The IUPAC name of 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium (CID 7172219) is 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium?
The canonical SMILES for 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium is OCCCC[NH2+]CCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium?
The InChIKey is ZUCMDRAQTBQWBN-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium?
2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium has a molecular weight of 198.33 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium is sourced from PubChem (CID 7172219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).