3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine

C14H25N3 — CID 106008076

IUPAC3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine
SMILESCCn1cncc1CNCCCC1CCCC1
InChIInChI=1S/C14H25N3/c1-2-17-12-16-11-14(17)10-15-9-5-8-13-6-3-4-7-13/h11-13,15H,2-10H2,1H3
InChIKeyGTSUYYQALVARPD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds7

About 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine

3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 106008076) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine
PubChem CID106008076
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine
SMILESCCn1cncc1CNCCCC1CCCC1
InChIInChI=1S/C14H25N3/c1-2-17-12-16-11-14(17)10-15-9-5-8-13-6-3-4-7-13/h11-13,15H,2-10H2,1H3
InChIKeyGTSUYYQALVARPD-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.96
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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Related Compounds

3-cyclohexyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 21983608
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123
((1-ethyl-1H-imidazol-5-yl)methyl)(methyl)amine
CID 66118213
2-(2-Cyclohexyl-1-methylimidazol-4-yl)ethanamine
CID 44292153
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
1-[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine
CID 97467314
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 90488066
2-(2-Cyclobutyl-5-methyl-1H-imidazol-1-YL)ethan-1-amine
CID 91911587
1-[1-(2-methylpropyl)-1H-imidazol-5-yl]methanamine
CID 28063994
rac-((2R,3S)-1-cyclopropyl-2-(1-methyl-1H-imidazol-5-yl)piperidin-3-yl)methanamine
CID 122152459
5-Methyl-1-propyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820587

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine (CID 106008076) is 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine is CCn1cncc1CNCCCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is GTSUYYQALVARPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-17-12-16-11-14(17)10-15-9-5-8-13-6-3-4-7-13/h11-13,15H,2-10H2,1H3.
What are the key properties of 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 106008076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).