3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine

C14H25N3 — CID 105009226

IUPAC3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine
SMILESCCNC(Cc1nccn1CC)C(C)C1CC1
InChIInChI=1S/C14H25N3/c1-4-15-13(11(3)12-6-7-12)10-14-16-8-9-17(14)5-2/h8-9,11-13,15H,4-7,10H2,1-3H3
InChIKeyGNUCAEBFIXLGOT-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.47
Rot. Bonds7

About 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine

3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine (PubChem CID 105009226) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine
PubChem CID105009226
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine
SMILESCCNC(Cc1nccn1CC)C(C)C1CC1
InChIInChI=1S/C14H25N3/c1-4-15-13(11(3)12-6-7-12)10-14-16-8-9-17(14)5-2/h8-9,11-13,15H,4-7,10H2,1-3H3
InChIKeyGNUCAEBFIXLGOT-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine with MolForge

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Related Compounds

3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 105009408
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79751359
N-ethyl-1-(3-ethylcyclopentyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79761771
N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
CID 116715779
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 116722542
1-cyclopropyl-N-ethyl-4-(1-ethylimidazol-2-yl)butan-1-amine
CID 79762173
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
1-cyclopropyl-N-ethyl-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 63912643
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine (CID 105009226) is 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine is CCNC(Cc1nccn1CC)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine?
The InChIKey is GNUCAEBFIXLGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-15-13(11(3)12-6-7-12)10-14-16-8-9-17(14)5-2/h8-9,11-13,15H,4-7,10H2,1-3H3.
What are the key properties of 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine?
3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 105009226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).