(Z)-N-methyl-2-(propylideneamino)ethenamine

C6H12N2 — CID 118890765

IUPAC(Z)-N-methyl-2-(propylideneamino)ethenamine
SMILESCC/C=N/C=C\NC
InChIInChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h4-7H,3H2,1-2H3/b6-5-,8-4+
InChIKeyKYGDGPGTYVCFTC-QNMAEOQASA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds3

About (Z)-N-methyl-2-(propylideneamino)ethenamine

(Z)-N-methyl-2-(propylideneamino)ethenamine (PubChem CID 118890765) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-N-methyl-2-(propylideneamino)ethenamine.

Molecular Properties

Compound Name(Z)-N-methyl-2-(propylideneamino)ethenamine
PubChem CID118890765
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-N-methyl-2-(propylideneamino)ethenamine
SMILESCC/C=N/C=C\NC
InChIInChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h4-7H,3H2,1-2H3/b6-5-,8-4+
InChIKeyKYGDGPGTYVCFTC-QNMAEOQASA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-methyl-2-(propylideneamino)ethenamine?
The IUPAC name of (Z)-N-methyl-2-(propylideneamino)ethenamine (CID 118890765) is (Z)-N-methyl-2-(propylideneamino)ethenamine.
What is the SMILES notation for (Z)-N-methyl-2-(propylideneamino)ethenamine?
The canonical SMILES for (Z)-N-methyl-2-(propylideneamino)ethenamine is CC/C=N/C=C\NC.
What is the InChIKey of (Z)-N-methyl-2-(propylideneamino)ethenamine?
The InChIKey is KYGDGPGTYVCFTC-QNMAEOQASA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h4-7H,3H2,1-2H3/b6-5-,8-4+.
What are the key properties of (Z)-N-methyl-2-(propylideneamino)ethenamine?
(Z)-N-methyl-2-(propylideneamino)ethenamine has a molecular weight of 112.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-(propylideneamino)ethenamine is sourced from PubChem (CID 118890765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).