(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine

C8H15N3 — CID 144636958

IUPAC(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine
SMILESC=C(N)/N=C\C(=C/C)CNC
InChIInChI=1S/C8H15N3/c1-4-8(5-10-3)6-11-7(2)9/h4,6,10H,2,5,9H2,1,3H3/b8-4-,11-6-
InChIKeyYZGXJJDDLUZHIS-NXXSAOACSA-N
MW153.23 g/mol
LogP0.65
Rot. Bonds4

About (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine

(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine (PubChem CID 144636958) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine
PubChem CID144636958
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine
SMILESC=C(N)/N=C\C(=C/C)CNC
InChIInChI=1S/C8H15N3/c1-4-8(5-10-3)6-11-7(2)9/h4,6,10H,2,5,9H2,1,3H3/b8-4-,11-6-
InChIKeyYZGXJJDDLUZHIS-NXXSAOACSA-N
XLogP0.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine (CID 144636958) is (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine is C=C(N)/N=C\C(=C/C)CNC.
What is the InChIKey of (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine?
The InChIKey is YZGXJJDDLUZHIS-NXXSAOACSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-8(5-10-3)6-11-7(2)9/h4,6,10H,2,5,9H2,1,3H3/b8-4-,11-6-.
What are the key properties of (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine?
(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine is sourced from PubChem (CID 144636958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).