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

C24H38N4 — CID 155538348

IUPAC(1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine
SMILESCCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)CCC
InChIInChI=1S/C24H38N4/c1-5-17-27(18-6-2)23(21-13-9-11-15-25-21)24(22-14-10-12-16-26-22)28(19-7-3)20-8-4/h9-16,23-24H,5-8,17-20H2,1-4H3/t23-,24-/m1/s1
InChIKeyDYLKNMRHGPNHNA-DNQXCXABSA-N
MW382.60 g/mol
LogP5.50
Rot. Bonds13

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

(1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine (PubChem CID 155538348) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine
PubChem CID155538348
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC Name(1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine
SMILESCCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)CCC
InChIInChI=1S/C24H38N4/c1-5-17-27(18-6-2)23(21-13-9-11-15-25-21)24(22-14-10-12-16-26-22)28(19-7-3)20-8-4/h9-16,23-24H,5-8,17-20H2,1-4H3/t23-,24-/m1/s1
InChIKeyDYLKNMRHGPNHNA-DNQXCXABSA-N
XLogP5.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine?
The IUPAC name of (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine (CID 155538348) is (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine?
The canonical SMILES for (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine is CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)CCC.
What is the InChIKey of (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine?
The InChIKey is DYLKNMRHGPNHNA-DNQXCXABSA-N. The full InChI is InChI=1S/C24H38N4/c1-5-17-27(18-6-2)23(21-13-9-11-15-25-21)24(22-14-10-12-16-26-22)28(19-7-3)20-8-4/h9-16,23-24H,5-8,17-20H2,1-4H3/t23-,24-/m1/s1.
What are the key properties of (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine?
(1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine has a molecular weight of 382.60 g/mol, XLogP of 5.50, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 155538348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).