(1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine

C7H12N2 — CID 20618387

IUPAC(1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine
SMILESC/N=C/C=C/C=C/NC
InChIInChI=1S/C7H12N2/c1-8-6-4-3-5-7-9-2/h3-8H,1-2H3/b5-3+,6-4+,9-7+
InChIKeyZVTPDRXSFHAHQO-GJOOXVBWSA-N
MW124.19 g/mol
LogP0.98
Rot. Bonds3

About (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine

(1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine (PubChem CID 20618387) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine
PubChem CID20618387
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine
SMILESC/N=C/C=C/C=C/NC
InChIInChI=1S/C7H12N2/c1-8-6-4-3-5-7-9-2/h3-8H,1-2H3/b5-3+,6-4+,9-7+
InChIKeyZVTPDRXSFHAHQO-GJOOXVBWSA-N
XLogP0.98
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 ≤ 50.98
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 (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine (CID 20618387) is (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine is C/N=C/C=C/C=C/NC.
What is the InChIKey of (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine?
The InChIKey is ZVTPDRXSFHAHQO-GJOOXVBWSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-6-4-3-5-7-9-2/h3-8H,1-2H3/b5-3+,6-4+,9-7+.
What are the key properties of (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine?
(1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-methyl-5-methyliminopenta-1,3-dien-1-amine is sourced from PubChem (CID 20618387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).