1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine

C16H27N3 — CID 114706506

IUPAC1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1CC(C1CC1)C1CC1
InChIInChI=1S/C16H27N3/c1-11(2)7-15(17)16-8-18-10-19(16)9-14(12-3-4-12)13-5-6-13/h8,10-15H,3-7,9,17H2,1-2H3
InChIKeyKWGIFHRBZOSPLM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.37
Rot. Bonds7

About 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114706506) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114706506
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1CC(C1CC1)C1CC1
InChIInChI=1S/C16H27N3/c1-11(2)7-15(17)16-8-18-10-19(16)9-14(12-3-4-12)13-5-6-13/h8,10-15H,3-7,9,17H2,1-2H3
InChIKeyKWGIFHRBZOSPLM-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114706506) is 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1cncn1CC(C1CC1)C1CC1.
What is the InChIKey of 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is KWGIFHRBZOSPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11(2)7-15(17)16-8-18-10-19(16)9-14(12-3-4-12)13-5-6-13/h8,10-15H,3-7,9,17H2,1-2H3.
What are the key properties of 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114706506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).