N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine

C14H25N3 — CID 114192847

IUPACN-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1CCC1CCCC1
InChIInChI=1S/C14H25N3/c1-3-15-10-14-11-16-12(2)17(14)9-8-13-6-4-5-7-13/h11,13,15H,3-10H2,1-2H3
InChIKeyBTFSXLFLZVHHGN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.88
Rot. Bonds6

About N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine

N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine (PubChem CID 114192847) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine
PubChem CID114192847
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1CCC1CCCC1
InChIInChI=1S/C14H25N3/c1-3-15-10-14-11-16-12(2)17(14)9-8-13-6-4-5-7-13/h11,13,15H,3-10H2,1-2H3
InChIKeyBTFSXLFLZVHHGN-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine (CID 114192847) is N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine is CCNCc1cnc(C)n1CCC1CCCC1.
What is the InChIKey of N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine?
The InChIKey is BTFSXLFLZVHHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-15-10-14-11-16-12(2)17(14)9-8-13-6-4-5-7-13/h11,13,15H,3-10H2,1-2H3.
What are the key properties of N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine?
N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114192847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).