N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine

C13H23N — CID 115728387

IUPACN-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NC2CC=CC2)CC1
InChIInChI=1S/C13H23N/c1-2-11-7-9-13(10-8-11)14-12-5-3-4-6-12/h3-4,11-14H,2,5-10H2,1H3
InChIKeyGPTSGIZBJDSZGB-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.26
Rot. Bonds3

About N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine

N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine (PubChem CID 115728387) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine
PubChem CID115728387
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NC2CC=CC2)CC1
InChIInChI=1S/C13H23N/c1-2-11-7-9-13(10-8-11)14-12-5-3-4-6-12/h3-4,11-14H,2,5-10H2,1H3
InChIKeyGPTSGIZBJDSZGB-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.26
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-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64747002
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500
N-(4-ethylcyclohexyl)oxan-3-amine
CID 63359861
3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64623583
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
N-(4-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81298687
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 60934435
N-(4-ethylcyclohexyl)-1,2-dimethylpiperidin-4-amine
CID 79032288
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine (CID 115728387) is N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine is CCC1CCC(NC2CC=CC2)CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine?
The InChIKey is GPTSGIZBJDSZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-11-7-9-13(10-8-11)14-12-5-3-4-6-12/h3-4,11-14H,2,5-10H2,1H3.
What are the key properties of N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine?
N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 115728387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).