3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine

C13H23N3 — CID 62966019

IUPAC3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine
SMILESCCc1nc(CC(C)(C)C)c(N)n1C1CC1
InChIInChI=1S/C13H23N3/c1-5-11-15-10(8-13(2,3)4)12(14)16(11)9-6-7-9/h9H,5-8,14H2,1-4H3
InChIKeyYCJQTDZQSWNRLH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.95
Rot. Bonds3

About 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine

3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine (PubChem CID 62966019) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine
PubChem CID62966019
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine
SMILESCCc1nc(CC(C)(C)C)c(N)n1C1CC1
InChIInChI=1S/C13H23N3/c1-5-11-15-10(8-13(2,3)4)12(14)16(11)9-6-7-9/h9H,5-8,14H2,1-4H3
InChIKeyYCJQTDZQSWNRLH-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine (CID 62966019) is 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine is CCc1nc(CC(C)(C)C)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine?
The InChIKey is YCJQTDZQSWNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-11-15-10(8-13(2,3)4)12(14)16(11)9-6-7-9/h9H,5-8,14H2,1-4H3.
What are the key properties of 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine?
3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,2-dimethylpropyl)-2-ethylimidazol-4-amine is sourced from PubChem (CID 62966019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).