4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine

C12H22N4 — CID 116877125

IUPAC4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
SMILESCC(N)CCc1ncc(C2CCN(C)C2)[nH]1
InChIInChI=1S/C12H22N4/c1-9(13)3-4-12-14-7-11(15-12)10-5-6-16(2)8-10/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyXWOMBAXOTXUPEQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.11
Rot. Bonds4

About 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine

4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine (PubChem CID 116877125) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
PubChem CID116877125
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
SMILESCC(N)CCc1ncc(C2CCN(C)C2)[nH]1
InChIInChI=1S/C12H22N4/c1-9(13)3-4-12-14-7-11(15-12)10-5-6-16(2)8-10/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyXWOMBAXOTXUPEQ-UHFFFAOYSA-N
XLogP1.11
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876745
3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876953
2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol
CID 116881626
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351
2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116881783
1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine
CID 116877683
4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]cyclohexan-1-one
CID 116881329
[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882697
ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 144594096
4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893070
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085155
(5-cyclopropyl-1H-imidazol-2-yl)methanamine
CID 84648312

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine?
The IUPAC name of 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine (CID 116877125) is 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine?
The canonical SMILES for 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine is CC(N)CCc1ncc(C2CCN(C)C2)[nH]1.
What is the InChIKey of 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine?
The InChIKey is XWOMBAXOTXUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(13)3-4-12-14-7-11(15-12)10-5-6-16(2)8-10/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine?
4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 116877125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).