3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine

C13H23N3 — CID 107444354

IUPAC3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1CC1CC1C
InChIInChI=1S/C13H23N3/c1-9(2)12(5-14)13-6-15-8-16(13)7-11-4-10(11)3/h6,8-12H,4-5,7,14H2,1-3H3
InChIKeyCTQIYQKKJLSXHS-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.24
Rot. Bonds5

About 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine

3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine (PubChem CID 107444354) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
PubChem CID107444354
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1CC1CC1C
InChIInChI=1S/C13H23N3/c1-9(2)12(5-14)13-6-15-8-16(13)7-11-4-10(11)3/h6,8-12H,4-5,7,14H2,1-3H3
InChIKeyCTQIYQKKJLSXHS-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444378
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
CID 107444389
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
tert-butyl N-[1-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]ethyl]carbamate
CID 114707474
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444278
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 106040953

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine (CID 107444354) is 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine is CC(C)C(CN)c1cncn1CC1CC1C.
What is the InChIKey of 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine?
The InChIKey is CTQIYQKKJLSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)12(5-14)13-6-15-8-16(13)7-11-4-10(11)3/h6,8-12H,4-5,7,14H2,1-3H3.
What are the key properties of 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 107444354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).