1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine

C12H22N4 — CID 62133475

IUPAC1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
SMILESCC(CN1CCCCC1)Nc1nccn1C
InChIInChI=1S/C12H22N4/c1-11(10-16-7-4-3-5-8-16)14-12-13-6-9-15(12)2/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,13,14)
InChIKeyIRGOCZWNFXYLAH-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine

1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine (PubChem CID 62133475) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
PubChem CID62133475
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
SMILESCC(CN1CCCCC1)Nc1nccn1C
InChIInChI=1S/C12H22N4/c1-11(10-16-7-4-3-5-8-16)14-12-13-6-9-15(12)2/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,13,14)
InChIKeyIRGOCZWNFXYLAH-UHFFFAOYSA-N
XLogP1.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine (CID 62133475) is 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine is CC(CN1CCCCC1)Nc1nccn1C.
What is the InChIKey of 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine?
The InChIKey is IRGOCZWNFXYLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(10-16-7-4-3-5-8-16)14-12-13-6-9-15(12)2/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine?
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 62133475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).