2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine

C13H23N3 — CID 79985662

IUPAC2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1cn(CC2CCCC2)cn1
InChIInChI=1S/C13H23N3/c1-2-14-8-7-13-10-16(11-15-13)9-12-5-3-4-6-12/h10-12,14H,2-9H2,1H3
InChIKeyFJDDVLHINUNIBH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.23
Rot. Bonds6

About 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine

2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine (PubChem CID 79985662) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine
PubChem CID79985662
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1cn(CC2CCCC2)cn1
InChIInChI=1S/C13H23N3/c1-2-14-8-7-13-10-16(11-15-13)9-12-5-3-4-6-12/h10-12,14H,2-9H2,1H3
InChIKeyFJDDVLHINUNIBH-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine?
The IUPAC name of 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine (CID 79985662) is 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine is CCNCCc1cn(CC2CCCC2)cn1.
What is the InChIKey of 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine?
The InChIKey is FJDDVLHINUNIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-14-8-7-13-10-16(11-15-13)9-12-5-3-4-6-12/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine?
2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 79985662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).