N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C16H21N3 — CID 5587

IUPACN'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyUFLGIAIHIAPJJC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.65
Rot. Bonds6

About N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 5587) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID5587
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyUFLGIAIHIAPJJC-UHFFFAOYSA-N
XLogP2.65
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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2-Amino-5-methylpyridine
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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 5587) is N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is CN(C)CCN(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is UFLGIAIHIAPJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3.
What are the key properties of N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 5587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).