(1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine

C22H34N4 — CID 155512369

IUPAC(1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine
SMILESCCCN(CC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CC)CCC
InChIInChI=1S/C22H34N4/c1-5-17-25(7-3)21(19-13-9-11-15-23-19)22(26(8-4)18-6-2)20-14-10-12-16-24-20/h9-16,21-22H,5-8,17-18H2,1-4H3/t21-,22-/m1/s1
InChIKeyQEOUREZPAIWERV-FGZHOGPDSA-N
MW354.54 g/mol
LogP4.72
Rot. Bonds11

About (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine

(1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine (PubChem CID 155512369) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine
PubChem CID155512369
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name(1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine
SMILESCCCN(CC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CC)CCC
InChIInChI=1S/C22H34N4/c1-5-17-25(7-3)21(19-13-9-11-15-23-19)22(26(8-4)18-6-2)20-14-10-12-16-24-20/h9-16,21-22H,5-8,17-18H2,1-4H3/t21-,22-/m1/s1
InChIKeyQEOUREZPAIWERV-FGZHOGPDSA-N
XLogP4.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine?
The IUPAC name of (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine (CID 155512369) is (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine?
The canonical SMILES for (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine is CCCN(CC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CC)CCC.
What is the InChIKey of (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine?
The InChIKey is QEOUREZPAIWERV-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H34N4/c1-5-17-25(7-3)21(19-13-9-11-15-23-19)22(26(8-4)18-6-2)20-14-10-12-16-24-20/h9-16,21-22H,5-8,17-18H2,1-4H3/t21-,22-/m1/s1.
What are the key properties of (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine?
(1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine has a molecular weight of 354.54 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N,N'-diethyl-N,N'-dipropyl-1,2-dipyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 155512369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).