N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine

C8H16N4 — CID 146437281

IUPACN-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine
SMILESC=CCN(C)/N=N/N(C)CC=C
InChIInChI=1S/C8H16N4/c1-5-7-11(3)9-10-12(4)8-6-2/h5-6H,1-2,7-8H2,3-4H3/b10-9+
InChIKeyZPYBECDVGHGTGQ-MDZDMXLPSA-N
MW168.24 g/mol
LogP1.50
Rot. Bonds6

About N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine

N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine (PubChem CID 146437281) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine
PubChem CID146437281
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine
SMILESC=CCN(C)/N=N/N(C)CC=C
InChIInChI=1S/C8H16N4/c1-5-7-11(3)9-10-12(4)8-6-2/h5-6H,1-2,7-8H2,3-4H3/b10-9+
InChIKeyZPYBECDVGHGTGQ-MDZDMXLPSA-N
XLogP1.50
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine (CID 146437281) is N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine is C=CCN(C)/N=N/N(C)CC=C.
What is the InChIKey of N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine?
The InChIKey is ZPYBECDVGHGTGQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H16N4/c1-5-7-11(3)9-10-12(4)8-6-2/h5-6H,1-2,7-8H2,3-4H3/b10-9+.
What are the key properties of N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine?
N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine is sourced from PubChem (CID 146437281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).