N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine

C8H15N3 — CID 166813243

IUPACN'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)C1CC=CC=N1
InChIInChI=1S/C8H15N3/c1-11(7-5-9)8-4-2-3-6-10-8/h2-3,6,8H,4-5,7,9H2,1H3
InChIKeyLDBRVUPHWIAAQQ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.23
Rot. Bonds3

About N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine

N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 166813243) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID166813243
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)C1CC=CC=N1
InChIInChI=1S/C8H15N3/c1-11(7-5-9)8-4-2-3-6-10-8/h2-3,6,8H,4-5,7,9H2,1H3
InChIKeyLDBRVUPHWIAAQQ-UHFFFAOYSA-N
XLogP0.23
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine (CID 166813243) is N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine is CN(CCN)C1CC=CC=N1.
What is the InChIKey of N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is LDBRVUPHWIAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-11(7-5-9)8-4-2-3-6-10-8/h2-3,6,8H,4-5,7,9H2,1H3.
What are the key properties of N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine?
N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 166813243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).