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

C14H25N3 — CID 114707362

IUPAC1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1CC(C)C1CC1
InChIInChI=1S/C14H25N3/c1-10(2)6-13(15)14-7-16-9-17(14)8-11(3)12-4-5-12/h7,9-13H,4-6,8,15H2,1-3H3
InChIKeyNUHGNSZNGUBLPV-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.98
Rot. Bonds6

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

1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114707362) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114707362
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1CC(C)C1CC1
InChIInChI=1S/C14H25N3/c1-10(2)6-13(15)14-7-16-9-17(14)8-11(3)12-4-5-12/h7,9-13H,4-6,8,15H2,1-3H3
InChIKeyNUHGNSZNGUBLPV-UHFFFAOYSA-N
XLogP2.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114707362) is 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1cncn1CC(C)C1CC1.
What is the InChIKey of 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is NUHGNSZNGUBLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)6-13(15)14-7-16-9-17(14)8-11(3)12-4-5-12/h7,9-13H,4-6,8,15H2,1-3H3.
What are the key properties of 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114707362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).