3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine

C13H25N — CID 64920630

IUPAC3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine
SMILESC=CCCCNC1CCC(CC)C1C
InChIInChI=1S/C13H25N/c1-4-6-7-10-14-13-9-8-12(5-2)11(13)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyIYGPENIOFZCJCG-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds6

About 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine

3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine (PubChem CID 64920630) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine
PubChem CID64920630
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine
SMILESC=CCCCNC1CCC(CC)C1C
InChIInChI=1S/C13H25N/c1-4-6-7-10-14-13-9-8-12(5-2)11(13)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyIYGPENIOFZCJCG-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine (CID 64920630) is 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine is C=CCCCNC1CCC(CC)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine?
The InChIKey is IYGPENIOFZCJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-6-7-10-14-13-9-8-12(5-2)11(13)3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine?
3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine is sourced from PubChem (CID 64920630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).