2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine

C13H23N — CID 106653525

IUPAC2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(C2=CCCCC2)CCCN1
InChIInChI=1S/C13H23N/c1-11(2)13(9-6-10-14-13)12-7-4-3-5-8-12/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyAPSFIPXWCUKGKZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.27
Rot. Bonds2

About 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine

2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine (PubChem CID 106653525) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine
PubChem CID106653525
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(C2=CCCCC2)CCCN1
InChIInChI=1S/C13H23N/c1-11(2)13(9-6-10-14-13)12-7-4-3-5-8-12/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyAPSFIPXWCUKGKZ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
Hexahydroisoindole
CID 53401231
N-Ethyl-5-(1-(ethylamino)-1-methylethyl)-2-methyl-2-cyclohexen-1-amine
CID 375999
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
2-(4-Fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3-(3-propan-2-yl-4-propylcyclohexen-1-yl)pyrrolidine
CID 123169673
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
3-Ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
CID 138507730
1-Azaspiro[4.5]dec-6-ene
CID 10725404

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine (CID 106653525) is 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine is CC(C)C1(C2=CCCCC2)CCCN1.
What is the InChIKey of 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine?
The InChIKey is APSFIPXWCUKGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11(2)13(9-6-10-14-13)12-7-4-3-5-8-12/h7,11,14H,3-6,8-10H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine?
2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 106653525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).