1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine

C14H25N3 — CID 106579397

IUPAC1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
SMILESCc1cn(C2CC2)c(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-10(14(3,4)5)8-15-13-16-11(2)9-17(13)12-6-7-12/h9-10,12H,6-8H2,1-5H3,(H,15,16)
InChIKeyQHRWWFFQZVUUJM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine

1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine (PubChem CID 106579397) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
PubChem CID106579397
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
SMILESCc1cn(C2CC2)c(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-10(14(3,4)5)8-15-13-16-11(2)9-17(13)12-6-7-12/h9-10,12H,6-8H2,1-5H3,(H,15,16)
InChIKeyQHRWWFFQZVUUJM-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine (CID 106579397) is 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine is Cc1cn(C2CC2)c(NCC(C)C(C)(C)C)n1.
What is the InChIKey of 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine?
The InChIKey is QHRWWFFQZVUUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(14(3,4)5)8-15-13-16-11(2)9-17(13)12-6-7-12/h9-10,12H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine?
1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine is sourced from PubChem (CID 106579397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).