(Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine

C13H19N5 — CID 145287800

IUPAC(Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine
SMILESC=N/C(NC)=C(\C=N/CNCC)c1ccccn1
InChIInChI=1S/C13H19N5/c1-4-16-10-17-9-11(13(14-2)15-3)12-7-5-6-8-18-12/h5-9,15-16H,2,4,10H2,1,3H3/b13-11-,17-9-
InChIKeyDXUFTBIWGMTHEW-ZCYUMKDRSA-N
MW245.33 g/mol
LogP1.31
Rot. Bonds7

About (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine

(Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine (PubChem CID 145287800) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine
PubChem CID145287800
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name(Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine
SMILESC=N/C(NC)=C(\C=N/CNCC)c1ccccn1
InChIInChI=1S/C13H19N5/c1-4-16-10-17-9-11(13(14-2)15-3)12-7-5-6-8-18-12/h5-9,15-16H,2,4,10H2,1,3H3/b13-11-,17-9-
InChIKeyDXUFTBIWGMTHEW-ZCYUMKDRSA-N
XLogP1.31
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine?
The IUPAC name of (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine (CID 145287800) is (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine.
What is the SMILES notation for (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine?
The canonical SMILES for (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine is C=N/C(NC)=C(\C=N/CNCC)c1ccccn1.
What is the InChIKey of (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine?
The InChIKey is DXUFTBIWGMTHEW-ZCYUMKDRSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-16-10-17-9-11(13(14-2)15-3)12-7-5-6-8-18-12/h5-9,15-16H,2,4,10H2,1,3H3/b13-11-,17-9-.
What are the key properties of (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine?
(Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine is sourced from PubChem (CID 145287800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).