N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine

C13H24N4 — CID 50968642

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCCN1CCN(C)Cc1ncc[nH]1
InChIInChI=1S/C13H24N4/c1-12-5-3-4-8-17(12)10-9-16(2)11-13-14-6-7-15-13/h6-7,12H,3-5,8-11H2,1-2H3,(H,14,15)
InChIKeyWAFVKTTVUSCPFF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.72
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine (PubChem CID 50968642) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
PubChem CID50968642
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCCN1CCN(C)Cc1ncc[nH]1
InChIInChI=1S/C13H24N4/c1-12-5-3-4-8-17(12)10-9-16(2)11-13-14-6-7-15-13/h6-7,12H,3-5,8-11H2,1-2H3,(H,14,15)
InChIKeyWAFVKTTVUSCPFF-UHFFFAOYSA-N
XLogP1.72
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine (CID 50968642) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine is CC1CCCCN1CCN(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine?
The InChIKey is WAFVKTTVUSCPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12-5-3-4-8-17(12)10-9-16(2)11-13-14-6-7-15-13/h6-7,12H,3-5,8-11H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 50968642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).