[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine

C10H17N3 — CID 130909334

IUPAC[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine
SMILESCC1(C)CC(n2cncc2CN)C1
InChIInChI=1S/C10H17N3/c1-10(2)3-8(4-10)13-7-12-6-9(13)5-11/h6-8H,3-5,11H2,1-2H3
InChIKeyDAFZJCGOWUIQER-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.70
Rot. Bonds2

About [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine

[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine (PubChem CID 130909334) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine
PubChem CID130909334
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine
SMILESCC1(C)CC(n2cncc2CN)C1
InChIInChI=1S/C10H17N3/c1-10(2)3-8(4-10)13-7-12-6-9(13)5-11/h6-8H,3-5,11H2,1-2H3
InChIKeyDAFZJCGOWUIQER-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine (CID 130909334) is [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine is CC1(C)CC(n2cncc2CN)C1.
What is the InChIKey of [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine?
The InChIKey is DAFZJCGOWUIQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2)3-8(4-10)13-7-12-6-9(13)5-11/h6-8H,3-5,11H2,1-2H3.
What are the key properties of [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine?
[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 130909334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).