N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine

C16H26N4 — CID 123563028

IUPACN'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine
SMILESNCCN(CCC1=NCCC=C1)CCC1C=CCC=N1
InChIInChI=1S/C16H26N4/c17-9-14-20(12-7-15-5-1-3-10-18-15)13-8-16-6-2-4-11-19-16/h1-2,5-6,10,15H,3-4,7-9,11-14,17H2
InChIKeyWVKLYJIVACBVHB-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.83
Rot. Bonds8

About N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine

N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 123563028) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine
PubChem CID123563028
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine
SMILESNCCN(CCC1=NCCC=C1)CCC1C=CCC=N1
InChIInChI=1S/C16H26N4/c17-9-14-20(12-7-15-5-1-3-10-18-15)13-8-16-6-2-4-11-19-16/h1-2,5-6,10,15H,3-4,7-9,11-14,17H2
InChIKeyWVKLYJIVACBVHB-UHFFFAOYSA-N
XLogP1.83
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5,8,12-Tetraza-15-azoniatricyclo[12.7.1.015,20]docosa-15(20),18-diene
CID 20700177
3-(2,12-Dimethyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),2,10,14-tetraen-7-yl)propan-1-amine
CID 6397464
Copper 3-(2,12-dimethyl-3,7,11-triaza-17-azanidabicyclo[11.3.1]heptadeca-1(16),2,10,14-tetraen-7-yl)propan-1-amine
CID 50934716
N-[(2S)-1-[[(E)-3-amino-2-(2,3-dihydropyridin-6-yl)prop-2-enylidene]amino]propan-2-yl]-N-ethylbutan-1-amine
CID 170977725

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine (CID 123563028) is N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine is NCCN(CCC1=NCCC=C1)CCC1C=CCC=N1.
What is the InChIKey of N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is WVKLYJIVACBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c17-9-14-20(12-7-15-5-1-3-10-18-15)13-8-16-6-2-4-11-19-16/h1-2,5-6,10,15H,3-4,7-9,11-14,17H2.
What are the key properties of N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine?
N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydropyridin-6-yl)ethyl]-N'-[2-(2,5-dihydropyridin-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 123563028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).