1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine

C13H24N4 — CID 106566532

IUPAC1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
SMILESCCCCn1cc(C)nc1NC1CCN(C)C1
InChIInChI=1S/C13H24N4/c1-4-5-7-17-9-11(2)14-13(17)15-12-6-8-16(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,14,15)
InChIKeyRXMACFZZWDTBMW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.11
Rot. Bonds5

About 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine

1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine (PubChem CID 106566532) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
PubChem CID106566532
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
SMILESCCCCn1cc(C)nc1NC1CCN(C)C1
InChIInChI=1S/C13H24N4/c1-4-5-7-17-9-11(2)14-13(17)15-12-6-8-16(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,14,15)
InChIKeyRXMACFZZWDTBMW-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine
CID 106564722
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106566147
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine
CID 106582802
4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582146
4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
CID 106581853
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-cyclohexyl-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572074
4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylimidazol-2-amine
CID 106581942
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-propylpiperidin-4-amine
CID 106568414
N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
CID 106578468
1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563052

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine (CID 106566532) is 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine is CCCCn1cc(C)nc1NC1CCN(C)C1.
What is the InChIKey of 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The InChIKey is RXMACFZZWDTBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-5-7-17-9-11(2)14-13(17)15-12-6-8-16(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,14,15).
What are the key properties of 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine is sourced from PubChem (CID 106566532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).