1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine

C16H29N3 — CID 79762298

IUPAC1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCNC(CCCc1nccn1CCC)C1CC1
InChIInChI=1S/C16H29N3/c1-3-10-17-15(14-8-9-14)6-5-7-16-18-11-13-19(16)12-4-2/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyMOFLIFODGHAQFE-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.39
Rot. Bonds10

About 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine

1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine (PubChem CID 79762298) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine
PubChem CID79762298
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCNC(CCCc1nccn1CCC)C1CC1
InChIInChI=1S/C16H29N3/c1-3-10-17-15(14-8-9-14)6-5-7-16-18-11-13-19(16)12-4-2/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyMOFLIFODGHAQFE-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole
CID 79760428
1-cyclopropyl-N-ethyl-4-(1-ethylimidazol-2-yl)butan-1-amine
CID 79762173
N-[1-cyclopentyl-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747735
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 63912853
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
CID 79761328
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752801
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine (CID 79762298) is 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine is CCCNC(CCCc1nccn1CCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine?
The InChIKey is MOFLIFODGHAQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-10-17-15(14-8-9-14)6-5-7-16-18-11-13-19(16)12-4-2/h11,13-15,17H,3-10,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine?
1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 79762298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).