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

C13H23N3 — CID 114707394

IUPAC3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1C1(C)CCC1
InChIInChI=1S/C13H23N3/c1-10(2)7-11(14)12-8-15-9-16(12)13(3)5-4-6-13/h8-11H,4-7,14H2,1-3H3
InChIKeyYREAMUITRBMDII-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.83
Rot. Bonds4

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

3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine (PubChem CID 114707394) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine
PubChem CID114707394
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1C1(C)CCC1
InChIInChI=1S/C13H23N3/c1-10(2)7-11(14)12-8-15-9-16(12)13(3)5-4-6-13/h8-11H,4-7,14H2,1-3H3
InChIKeyYREAMUITRBMDII-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine (CID 114707394) is 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1C1(C)CCC1.
What is the InChIKey of 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine?
The InChIKey is YREAMUITRBMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)7-11(14)12-8-15-9-16(12)13(3)5-4-6-13/h8-11H,4-7,14H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114707394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).