2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine

C12H23N — CID 103522734

IUPAC2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine
SMILESCCC1CCCC1NCC=C(C)C
InChIInChI=1S/C12H23N/c1-4-11-6-5-7-12(11)13-9-8-10(2)3/h8,11-13H,4-7,9H2,1-3H3
InChIKeyWDZOLFFNOXXUES-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds4

About 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine

2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine (PubChem CID 103522734) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine
PubChem CID103522734
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine
SMILESCCC1CCCC1NCC=C(C)C
InChIInChI=1S/C12H23N/c1-4-11-6-5-7-12(11)13-9-8-10(2)3/h8,11-13H,4-7,9H2,1-3H3
InChIKeyWDZOLFFNOXXUES-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
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

2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106365327
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine
CID 104926955
4-[[(2-ethylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 106125475
N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine
CID 79167923
N-(2-ethylcyclopentyl)acetamide
CID 130891213
2-[(2-ethylcyclopentyl)amino]cyclopentan-1-ol
CID 130639368
3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol
CID 115714750
2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106180008
N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine
CID 107900207
2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
CID 106362430

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine?
The IUPAC name of 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine (CID 103522734) is 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine is CCC1CCCC1NCC=C(C)C.
What is the InChIKey of 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine?
The InChIKey is WDZOLFFNOXXUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-11-6-5-7-12(11)13-9-8-10(2)3/h8,11-13H,4-7,9H2,1-3H3.
What are the key properties of 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine?
2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine is sourced from PubChem (CID 103522734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).