2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine

C14H25N — CID 106653530

IUPAC2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(C2=CCCCC2)CCCN1
InChIInChI=1S/C14H25N/c1-12(2)11-14(9-6-10-15-14)13-7-4-3-5-8-13/h7,12,15H,3-6,8-11H2,1-2H3
InChIKeyBJMUXDWYXJBZLM-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.66
Rot. Bonds3

About 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine

2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 106653530) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine
PubChem CID106653530
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(C2=CCCCC2)CCCN1
InChIInChI=1S/C14H25N/c1-12(2)11-14(9-6-10-15-14)13-7-4-3-5-8-13/h7,12,15H,3-6,8-11H2,1-2H3
InChIKeyBJMUXDWYXJBZLM-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.66
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

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
4-[2,6-Bis(2-methyl-2-propen-1-yl)-1,2,3,6-tetrahydro-4-pyridinyl]-1,6-heptadien-4-amine
CID 5018062
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
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
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
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine (CID 106653530) is 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(C2=CCCCC2)CCCN1.
What is the InChIKey of 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is BJMUXDWYXJBZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2)11-14(9-6-10-15-14)13-7-4-3-5-8-13/h7,12,15H,3-6,8-11H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine?
2-(cyclohexen-1-yl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.66, 3 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-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 106653530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).