1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine

C13H24N4 — CID 106567048

IUPAC1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1CC1CCN(C)CC1
InChIInChI=1S/C13H24N4/c1-11(2)15-13-14-6-9-17(13)10-12-4-7-16(3)8-5-12/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,14,15)
InChIKeyGNLOFNXVJPKKJD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds4

About 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine

1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106567048) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106567048
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1CC1CCN(C)CC1
InChIInChI=1S/C13H24N4/c1-11(2)15-13-14-6-9-17(13)10-12-4-7-16(3)8-5-12/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,14,15)
InChIKeyGNLOFNXVJPKKJD-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine (CID 106567048) is 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1CC1CCN(C)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is GNLOFNXVJPKKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)15-13-14-6-9-17(13)10-12-4-7-16(3)8-5-12/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,14,15).
What are the key properties of 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106567048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).