2-(2,3-dihydropyridin-4-ylamino)ethylazanide

C7H12N3- — CID 142040847

IUPAC2-(2,3-dihydropyridin-4-ylamino)ethylazanide
SMILES[NH-]CCNC1=CC=NCC1
InChIInChI=1S/C7H12N3/c8-3-6-10-7-1-4-9-5-2-7/h1,4,8,10H,2-3,5-6H2/q-1
InChIKeyRITPIHXHFJEYAD-UHFFFAOYSA-N
MW138.19 g/mol
LogP0.99
Rot. Bonds3

About 2-(2,3-dihydropyridin-4-ylamino)ethylazanide

2-(2,3-dihydropyridin-4-ylamino)ethylazanide (PubChem CID 142040847) has the molecular formula C7H12N3- and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-4-ylamino)ethylazanide.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-4-ylamino)ethylazanide
PubChem CID142040847
Molecular FormulaC7H12N3-
Molecular Weight138.19 g/mol
Exact Mass138.10
IUPAC Name2-(2,3-dihydropyridin-4-ylamino)ethylazanide
SMILES[NH-]CCNC1=CC=NCC1
InChIInChI=1S/C7H12N3/c8-3-6-10-7-1-4-9-5-2-7/h1,4,8,10H,2-3,5-6H2/q-1
InChIKeyRITPIHXHFJEYAD-UHFFFAOYSA-N
XLogP0.99
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydropyridin-4(1h)-imine
CID 19906283
N-ethenyl-2-fluoro-2,3-dihydropyridin-4-amine
CID 148381764
2,3-Dihydropyridine-3,4-diamine
CID 89105867
(Z)-2-N-methyl-5-methyliminopent-3-ene-2,3-diamine
CID 89186150
1,2,3,8a-Tetrahydro-1,5-naphthyridine
CID 91443759
1-(2,3-Dihydropyridin-5-yl)-1,4-diazepane
CID 139935688
N-methyl-2,3-dihydropyridin-4-amine
CID 142907315
N-ethyl-2,3-dihydropyridin-4-amine
CID 142940470
3-methyl-N-propyl-2,3-dihydropyridin-4-amine
CID 143106734
N-propyl-2,3-dihydropyridin-4-amine
CID 143106736
2-methyl-N-propyl-2,3-dihydropyridin-4-amine
CID 143106787
N,1-dimethyl-5-(prop-2-enylideneamino)-3,6-dihydro-2H-pyridin-4-amine
CID 144594832

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-4-ylamino)ethylazanide?
The IUPAC name of 2-(2,3-dihydropyridin-4-ylamino)ethylazanide (CID 142040847) is 2-(2,3-dihydropyridin-4-ylamino)ethylazanide.
What is the SMILES notation for 2-(2,3-dihydropyridin-4-ylamino)ethylazanide?
The canonical SMILES for 2-(2,3-dihydropyridin-4-ylamino)ethylazanide is [NH-]CCNC1=CC=NCC1.
What is the InChIKey of 2-(2,3-dihydropyridin-4-ylamino)ethylazanide?
The InChIKey is RITPIHXHFJEYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N3/c8-3-6-10-7-1-4-9-5-2-7/h1,4,8,10H,2-3,5-6H2/q-1.
What are the key properties of 2-(2,3-dihydropyridin-4-ylamino)ethylazanide?
2-(2,3-dihydropyridin-4-ylamino)ethylazanide has a molecular weight of 138.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-4-ylamino)ethylazanide is sourced from PubChem (CID 142040847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).