4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine

C15H19N3 — CID 43678536

IUPAC4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCCc1ccccc1
InChIInChI=1S/C15H19N3/c1-18(2)15-9-10-16-12-14(15)17-11-8-13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3
InChIKeySWBWMAXKBZOFSU-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.80
Rot. Bonds5

About 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine

4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine (PubChem CID 43678536) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine
PubChem CID43678536
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCCc1ccccc1
InChIInChI=1S/C15H19N3/c1-18(2)15-9-10-16-12-14(15)17-11-8-13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3
InChIKeySWBWMAXKBZOFSU-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine (CID 43678536) is 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine is CN(C)c1ccncc1NCCc1ccccc1.
What is the InChIKey of 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine?
The InChIKey is SWBWMAXKBZOFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18(2)15-9-10-16-12-14(15)17-11-8-13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine?
4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.80, 5 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-3-N-(2-phenylethyl)pyridine-3,4-diamine is sourced from PubChem (CID 43678536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).