(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine

C12H14N4 — CID 30682697

IUPAC(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
SMILESN[C@@H](c1cccnc1)[C@@H](N)c1cccnc1
InChIInChI=1S/C12H14N4/c13-11(9-3-1-5-15-7-9)12(14)10-4-2-6-16-8-10/h1-8,11-12H,13-14H2/t11-,12-/m0/s1
InChIKeyXPLJUOJBKASXBU-RYUDHWBXSA-N
MW214.27 g/mol
LogP1.18
Rot. Bonds3

About (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine

(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine (PubChem CID 30682697) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
PubChem CID30682697
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
SMILESN[C@@H](c1cccnc1)[C@@H](N)c1cccnc1
InChIInChI=1S/C12H14N4/c13-11(9-3-1-5-15-7-9)12(14)10-4-2-6-16-8-10/h1-8,11-12H,13-14H2/t11-,12-/m0/s1
InChIKeyXPLJUOJBKASXBU-RYUDHWBXSA-N
XLogP1.18
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diphenyl-1-pyridin-3-ylethanamine
CID 60923262
amino(pyridin-3-yl)methanethiol
CID 116939546
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine?
The IUPAC name of (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine (CID 30682697) is (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine?
The canonical SMILES for (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine is N[C@@H](c1cccnc1)[C@@H](N)c1cccnc1.
What is the InChIKey of (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine?
The InChIKey is XPLJUOJBKASXBU-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H14N4/c13-11(9-3-1-5-15-7-9)12(14)10-4-2-6-16-8-10/h1-8,11-12H,13-14H2/t11-,12-/m0/s1.
What are the key properties of (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine?
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 30682697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).