5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine

C13H23N — CID 59933174

IUPAC5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine
SMILESC=CCCCC1=C(NC)C(CC)CC1
InChIInChI=1S/C13H23N/c1-4-6-7-8-12-10-9-11(5-2)13(12)14-3/h4,11,14H,1,5-10H2,2-3H3
InChIKeyANHHVHHMOFZSBM-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.64
Rot. Bonds6

About 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine

5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine (PubChem CID 59933174) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine
PubChem CID59933174
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine
SMILESC=CCCCC1=C(NC)C(CC)CC1
InChIInChI=1S/C13H23N/c1-4-6-7-8-12-10-9-11(5-2)13(12)14-3/h4,11,14H,1,5-10H2,2-3H3
InChIKeyANHHVHHMOFZSBM-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.64
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 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine?
The IUPAC name of 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine (CID 59933174) is 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine.
What is the SMILES notation for 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine?
The canonical SMILES for 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine is C=CCCCC1=C(NC)C(CC)CC1.
What is the InChIKey of 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine?
The InChIKey is ANHHVHHMOFZSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-7-8-12-10-9-11(5-2)13(12)14-3/h4,11,14H,1,5-10H2,2-3H3.
What are the key properties of 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine?
5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine is sourced from PubChem (CID 59933174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).