N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine

C17H29N — CID 64921558

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)C2CC3C=CC2C3)C1C
InChIInChI=1S/C17H29N/c1-4-14-7-8-17(11(14)2)18-12(3)16-10-13-5-6-15(16)9-13/h5-6,11-18H,4,7-10H2,1-3H3
InChIKeyHICUKOBRJVOUQA-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.00
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64921558) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID64921558
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)C2CC3C=CC2C3)C1C
InChIInChI=1S/C17H29N/c1-4-14-7-8-17(11(14)2)18-12(3)16-10-13-5-6-15(16)9-13/h5-6,11-18H,4,7-10H2,1-3H3
InChIKeyHICUKOBRJVOUQA-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64921128
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylcyclopentan-1-amine
CID 114543889
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile
CID 55153862
3-ethyl-2-methyl-N-(3-propan-2-ylcyclobutyl)cyclopentan-1-amine
CID 103561998
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861344
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
3-ethyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methylcyclopentan-1-amine
CID 64923128
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122254
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 114129792
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43761798
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 64921558) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NC(C)C2CC3C=CC2C3)C1C.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is HICUKOBRJVOUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-14-7-8-17(11(14)2)18-12(3)16-10-13-5-6-15(16)9-13/h5-6,11-18H,4,7-10H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64921558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).