1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine

C12H22N4 — CID 106552563

IUPAC1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine
SMILESCCCCn1ccnc1N(C)C1CCNC1
InChIInChI=1S/C12H22N4/c1-3-4-8-16-9-7-14-12(16)15(2)11-5-6-13-10-11/h7,9,11,13H,3-6,8,10H2,1-2H3
InChIKeyKPXUBVMVDJHTCK-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.48
Rot. Bonds5

About 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine

1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine (PubChem CID 106552563) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine
PubChem CID106552563
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine
SMILESCCCCn1ccnc1N(C)C1CCNC1
InChIInChI=1S/C12H22N4/c1-3-4-8-16-9-7-14-12(16)15(2)11-5-6-13-10-11/h7,9,11,13H,3-6,8,10H2,1-2H3
InChIKeyKPXUBVMVDJHTCK-UHFFFAOYSA-N
XLogP1.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106552097
1-cyclopropyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine
CID 106552551
1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553025
N-(4-ethyl-1-propylimidazol-2-yl)-N-methylpiperidin-3-amine
CID 106551845
N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride
CID 71641002
5-(1-butylimidazol-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106552991
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684
N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine
CID 54961313
N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
CID 115118759
dicyclopropyl-(1-pentylimidazol-2-yl)methanol
CID 102490461
N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106552113
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine?
The IUPAC name of 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine (CID 106552563) is 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine is CCCCn1ccnc1N(C)C1CCNC1.
What is the InChIKey of 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine?
The InChIKey is KPXUBVMVDJHTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-4-8-16-9-7-14-12(16)15(2)11-5-6-13-10-11/h7,9,11,13H,3-6,8,10H2,1-2H3.
What are the key properties of 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine?
1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine is sourced from PubChem (CID 106552563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).