2-(methylideneamino)-2,3-dihydropyridin-5-amine

C6H9N3 — CID 147720958

IUPAC2-(methylideneamino)-2,3-dihydropyridin-5-amine
SMILESC=NC1CC=C(N)C=N1
InChIInChI=1S/C6H9N3/c1-8-6-3-2-5(7)4-9-6/h2,4,6H,1,3,7H2
InChIKeyGWOGTYIXKDDPMF-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.33
Rot. Bonds1

About 2-(methylideneamino)-2,3-dihydropyridin-5-amine

2-(methylideneamino)-2,3-dihydropyridin-5-amine (PubChem CID 147720958) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-(methylideneamino)-2,3-dihydropyridin-5-amine.

Molecular Properties

Compound Name2-(methylideneamino)-2,3-dihydropyridin-5-amine
PubChem CID147720958
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-(methylideneamino)-2,3-dihydropyridin-5-amine
SMILESC=NC1CC=C(N)C=N1
InChIInChI=1S/C6H9N3/c1-8-6-3-2-5(7)4-9-6/h2,4,6H,1,3,7H2
InChIKeyGWOGTYIXKDDPMF-UHFFFAOYSA-N
XLogP0.33
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dihydropyridin-4(1h)-imine
CID 19906283
4-Fluoro-1-methyliminopent-2-en-3-amine
CID 173565633
2,3-Dihydropyridin-5-amine
CID 54086038
3H-pyridin-1-ium-5-amine
CID 57035951
5-amino-3H-pyridine-2-thione
CID 57194529
3-methyl-2H-pyridine-2,3,5-triamine
CID 67781597
2-Methylidenepyridin-3-imine
CID 85854288
2-Methyl-2,3-dihydropyridin-5-amine
CID 89681835
(Z)-3-N-ethylidenepent-2-ene-1,3-diimine
CID 118889253
(E)-3-N-ethylidenepent-2-ene-1,3-diimine
CID 123200842
N-(2,3-dihydropyridin-4-yl)methanimine
CID 123278686
(Z)-4-methyl-1-methyliminopent-2-en-3-amine
CID 126729542

Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)-2,3-dihydropyridin-5-amine?
The IUPAC name of 2-(methylideneamino)-2,3-dihydropyridin-5-amine (CID 147720958) is 2-(methylideneamino)-2,3-dihydropyridin-5-amine.
What is the SMILES notation for 2-(methylideneamino)-2,3-dihydropyridin-5-amine?
The canonical SMILES for 2-(methylideneamino)-2,3-dihydropyridin-5-amine is C=NC1CC=C(N)C=N1.
What is the InChIKey of 2-(methylideneamino)-2,3-dihydropyridin-5-amine?
The InChIKey is GWOGTYIXKDDPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-8-6-3-2-5(7)4-9-6/h2,4,6H,1,3,7H2.
What are the key properties of 2-(methylideneamino)-2,3-dihydropyridin-5-amine?
2-(methylideneamino)-2,3-dihydropyridin-5-amine has a molecular weight of 123.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)-2,3-dihydropyridin-5-amine is sourced from PubChem (CID 147720958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).