4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine

C12H14N4 — CID 28902053

IUPAC4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCCc1ccccn1
InChIInChI=1S/C12H14N4/c13-11-9-14-7-5-12(11)16-8-4-10-3-1-2-6-15-10/h1-3,5-7,9H,4,8,13H2,(H,14,16)
InChIKeyVKCJBPZXYBEPAI-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.71
Rot. Bonds4

About 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine

4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine (PubChem CID 28902053) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
PubChem CID28902053
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCCc1ccccn1
InChIInChI=1S/C12H14N4/c13-11-9-14-7-5-12(11)16-8-4-10-3-1-2-6-15-10/h1-3,5-7,9H,4,8,13H2,(H,14,16)
InChIKeyVKCJBPZXYBEPAI-UHFFFAOYSA-N
XLogP1.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
N-(2-pyridin-2-ylethyl)pyrazin-2-amine
CID 28544593
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine
CID 62112810
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 114051759
4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid
CID 82785039
4-amino-3-(2-pyridin-2-ylethylamino)benzamide
CID 55190342
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine (CID 28902053) is 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine is Nc1cnccc1NCCc1ccccn1.
What is the InChIKey of 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine?
The InChIKey is VKCJBPZXYBEPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-11-9-14-7-5-12(11)16-8-4-10-3-1-2-6-15-10/h1-3,5-7,9H,4,8,13H2,(H,14,16).
What are the key properties of 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine?
4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine is sourced from PubChem (CID 28902053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).