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

C13H23N3 — CID 106580756

IUPACN-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NCCC1CCC1
InChIInChI=1S/C13H23N3/c1-3-9-16-10-11(2)15-13(16)14-8-7-12-5-4-6-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyYGKIATHVEKJWRX-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.20
Rot. Bonds6

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

N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine (PubChem CID 106580756) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine
PubChem CID106580756
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NCCC1CCC1
InChIInChI=1S/C13H23N3/c1-3-9-16-10-11(2)15-13(16)14-8-7-12-5-4-6-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyYGKIATHVEKJWRX-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylimidazol-2-amine
CID 106581942
N-(2-cyclohexylethyl)-1-ethyl-4-methylimidazol-2-amine
CID 106563379
N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106563359
1-ethyl-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-2-amine
CID 106581961
1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106575804
4-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106574352
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-(2-cyclopropylpropyl)-4-methyl-1-propylimidazol-2-amine
CID 106580220
4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
CID 106581398
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-propylimidazol-2-amine
CID 106567050

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine?
The IUPAC name of N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine (CID 106580756) is N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine.
What is the SMILES notation for N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine?
The canonical SMILES for N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine is CCCn1cc(C)nc1NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine?
The InChIKey is YGKIATHVEKJWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-9-16-10-11(2)15-13(16)14-8-7-12-5-4-6-12/h10,12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine?
N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine is sourced from PubChem (CID 106580756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).