1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine

C13H23N3 — CID 106564722

IUPAC1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NC1CC1(C)C
InChIInChI=1S/C13H23N3/c1-5-6-7-16-9-10(2)14-12(16)15-11-8-13(11,3)4/h9,11H,5-8H2,1-4H3,(H,14,15)
InChIKeyKCCQLKGJMDSIBB-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.20
Rot. Bonds5

About 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine

1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine (PubChem CID 106564722) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine
PubChem CID106564722
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NC1CC1(C)C
InChIInChI=1S/C13H23N3/c1-5-6-7-16-9-10(2)14-12(16)15-11-8-13(11,3)4/h9,11H,5-8H2,1-4H3,(H,14,15)
InChIKeyKCCQLKGJMDSIBB-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
CID 106564770
N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564748
N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106564756
1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566532
N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106566147
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
4-methyl-1-propyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazol-2-amine
CID 106575381
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
1-butyl-2,4-dimethylimidazole
CID 69009415

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine (CID 106564722) is 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1NC1CC1(C)C.
What is the InChIKey of 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine?
The InChIKey is KCCQLKGJMDSIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-7-16-9-10(2)14-12(16)15-11-8-13(11,3)4/h9,11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine?
1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106564722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).