2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine

C13H24N4 — CID 66119615

IUPAC2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cncn2C)C1C
InChIInChI=1S/C13H24N4/c1-10-5-4-6-17(11(10)2)12(7-14)13-8-15-9-16(13)3/h8-12H,4-7,14H2,1-3H3
InChIKeySMRHPCIHCRBOAR-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.54
Rot. Bonds3

About 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine

2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine (PubChem CID 66119615) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine
PubChem CID66119615
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cncn2C)C1C
InChIInChI=1S/C13H24N4/c1-10-5-4-6-17(11(10)2)12(7-14)13-8-15-9-16(13)3/h8-12H,4-7,14H2,1-3H3
InChIKeySMRHPCIHCRBOAR-UHFFFAOYSA-N
XLogP1.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine (CID 66119615) is 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine is CC1CCCN(C(CN)c2cncn2C)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is SMRHPCIHCRBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-5-4-6-17(11(10)2)12(7-14)13-8-15-9-16(13)3/h8-12H,4-7,14H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine?
2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 66119615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).