1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine

C13H23N3 — CID 106582706

IUPAC1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C(C)C1CCC1
InChIInChI=1S/C13H23N3/c1-4-8-14-13-15-10(2)9-16(13)11(3)12-6-5-7-12/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeySYSYOZXESKYWQZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.37
Rot. Bonds5

About 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine

1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106582706) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106582706
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C(C)C1CCC1
InChIInChI=1S/C13H23N3/c1-4-8-14-13-15-10(2)9-16(13)11(3)12-6-5-7-12/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeySYSYOZXESKYWQZ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine (CID 106582706) is 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1C(C)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is SYSYOZXESKYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-8-14-13-15-10(2)9-16(13)11(3)12-6-5-7-12/h9,11-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine?
1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106582706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).