(1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine

C7H12N2 — CID 118464966

IUPAC(1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=N/C=C\C(=C/C)NC
InChIInChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h4-6,9H,2H2,1,3H3/b6-5-,7-4+
InChIKeyOMEDPQJIZOAZFO-IUQJDUBZSA-N
MW124.19 g/mol
LogP1.32
Rot. Bonds3

About (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine

(1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine (PubChem CID 118464966) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine
PubChem CID118464966
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=N/C=C\C(=C/C)NC
InChIInChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h4-6,9H,2H2,1,3H3/b6-5-,7-4+
InChIKeyOMEDPQJIZOAZFO-IUQJDUBZSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine?
The IUPAC name of (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine (CID 118464966) is (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine.
What is the SMILES notation for (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine?
The canonical SMILES for (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine is C=N/C=C\C(=C/C)NC.
What is the InChIKey of (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine?
The InChIKey is OMEDPQJIZOAZFO-IUQJDUBZSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h4-6,9H,2H2,1,3H3/b6-5-,7-4+.
What are the key properties of (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine?
(1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine has a molecular weight of 124.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N-methyl-1-(methylideneamino)penta-1,3-dien-3-amine is sourced from PubChem (CID 118464966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).