3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine

C13H23N3 — CID 105009408

IUPAC3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
SMILESCCn1ccnc1CC(NC)C(C)C1CC1
InChIInChI=1S/C13H23N3/c1-4-16-8-7-15-13(16)9-12(14-3)10(2)11-5-6-11/h7-8,10-12,14H,4-6,9H2,1-3H3
InChIKeyWCBXSOADQWHRFC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.08
Rot. Bonds6

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

3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine (PubChem CID 105009408) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
PubChem CID105009408
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
SMILESCCn1ccnc1CC(NC)C(C)C1CC1
InChIInChI=1S/C13H23N3/c1-4-16-8-7-15-13(16)9-12(14-3)10(2)11-5-6-11/h7-8,10-12,14H,4-6,9H2,1-3H3
InChIKeyWCBXSOADQWHRFC-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009226
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516863
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79751359
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165968
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
[3-ethyl-1-(1-ethylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105321751
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
2-(1-ethylimidazol-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751513
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine (CID 105009408) is 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine is CCn1ccnc1CC(NC)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine?
The InChIKey is WCBXSOADQWHRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16-8-7-15-13(16)9-12(14-3)10(2)11-5-6-11/h7-8,10-12,14H,4-6,9H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine?
3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 105009408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).