N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine

C14H25N3 — CID 114125143

IUPACN-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
SMILESCCC1(CNCCn2ccnc2C)CCCC1
InChIInChI=1S/C14H25N3/c1-3-14(6-4-5-7-14)12-15-8-10-17-11-9-16-13(17)2/h9,11,15H,3-8,10,12H2,1-2H3
InChIKeyHKJOSEROVMROEX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds6

About N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine

N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 114125143) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID114125143
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
SMILESCCC1(CNCCn2ccnc2C)CCCC1
InChIInChI=1S/C14H25N3/c1-3-14(6-4-5-7-14)12-15-8-10-17-11-9-16-13(17)2/h9,11,15H,3-8,10,12H2,1-2H3
InChIKeyHKJOSEROVMROEX-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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 N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine (CID 114125143) is N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine is CCC1(CNCCn2ccnc2C)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is HKJOSEROVMROEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-14(6-4-5-7-14)12-15-8-10-17-11-9-16-13(17)2/h9,11,15H,3-8,10,12H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine?
N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 114125143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).