2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine

C9H16N4 — CID 155177135

IUPAC2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine
SMILESC/C=C\NCC1CC=C(N)C(N)=N1
InChIInChI=1S/C9H16N4/c1-2-5-12-6-7-3-4-8(10)9(11)13-7/h2,4-5,7,12H,3,6,10H2,1H3,(H2,11,13)/b5-2-
InChIKeyLIBVAUVLPNOALQ-DJWKRKHSSA-N
MW180.25 g/mol
LogP0.08
Rot. Bonds3

About 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine

2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine (PubChem CID 155177135) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine.

Molecular Properties

Compound Name2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine
PubChem CID155177135
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine
SMILESC/C=C\NCC1CC=C(N)C(N)=N1
InChIInChI=1S/C9H16N4/c1-2-5-12-6-7-3-4-8(10)9(11)13-7/h2,4-5,7,12H,3,6,10H2,1H3,(H2,11,13)/b5-2-
InChIKeyLIBVAUVLPNOALQ-DJWKRKHSSA-N
XLogP0.08
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine?
The IUPAC name of 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine (CID 155177135) is 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine.
What is the SMILES notation for 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine?
The canonical SMILES for 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine is C/C=C\NCC1CC=C(N)C(N)=N1.
What is the InChIKey of 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine?
The InChIKey is LIBVAUVLPNOALQ-DJWKRKHSSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-5-12-6-7-3-4-8(10)9(11)13-7/h2,4-5,7,12H,3,6,10H2,1H3,(H2,11,13)/b5-2-.
What are the key properties of 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine?
2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine is sourced from PubChem (CID 155177135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).