N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine

C13H23N3 — CID 69152180

IUPACN-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine
SMILESC=CCc1nccn1CCNCCCCC
InChIInChI=1S/C13H23N3/c1-3-5-6-8-14-9-11-16-12-10-15-13(16)7-4-2/h4,10,12,14H,2-3,5-9,11H2,1H3
InChIKeyHEWWZYXPNYWTBV-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.39
Rot. Bonds9

About N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine

N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine (PubChem CID 69152180) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine
PubChem CID69152180
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine
SMILESC=CCc1nccn1CCNCCCCC
InChIInChI=1S/C13H23N3/c1-3-5-6-8-14-9-11-16-12-10-15-13(16)7-4-2/h4,10,12,14H,2-3,5-9,11H2,1H3
InChIKeyHEWWZYXPNYWTBV-UHFFFAOYSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine (CID 69152180) is N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine is C=CCc1nccn1CCNCCCCC.
What is the InChIKey of N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine?
The InChIKey is HEWWZYXPNYWTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-6-8-14-9-11-16-12-10-15-13(16)7-4-2/h4,10,12,14H,2-3,5-9,11H2,1H3.
What are the key properties of N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine?
N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-prop-2-enylimidazol-1-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 69152180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).