4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine

C14H17N3 — CID 39247144

IUPAC4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C14H17N3/c1-17(2)14-8-6-12(7-9-14)16-11-13-5-3-4-10-15-13/h3-10,16H,11H2,1-2H3
InChIKeyRIKLBFYMQFBFJF-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.76
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine (PubChem CID 39247144) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
PubChem CID39247144
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C14H17N3/c1-17(2)14-8-6-12(7-9-14)16-11-13-5-3-4-10-15-13/h3-10,16H,11H2,1-2H3
InChIKeyRIKLBFYMQFBFJF-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine (CID 39247144) is 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine is CN(C)c1ccc(NCc2ccccn2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is RIKLBFYMQFBFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(2)14-8-6-12(7-9-14)16-11-13-5-3-4-10-15-13/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 39247144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).