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

C8H14N2 — CID 89320182

IUPAC(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
SMILESC=C/C(=C\CC)N(C)N=C
InChIInChI=1S/C8H14N2/c1-5-7-8(6-2)10(4)9-3/h6-7H,2-3,5H2,1,4H3/b8-7+
InChIKeyKZTIUTFDLUESQI-BQYQJAHWSA-N
MW138.21 g/mol
LogP2.01
Rot. Bonds4

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

(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine (PubChem CID 89320182) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
PubChem CID89320182
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
SMILESC=C/C(=C\CC)N(C)N=C
InChIInChI=1S/C8H14N2/c1-5-7-8(6-2)10(4)9-3/h6-7H,2-3,5H2,1,4H3/b8-7+
InChIKeyKZTIUTFDLUESQI-BQYQJAHWSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine?
The IUPAC name of (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine (CID 89320182) is (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine?
The canonical SMILES for (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine is C=C/C(=C\CC)N(C)N=C.
What is the InChIKey of (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine?
The InChIKey is KZTIUTFDLUESQI-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-7-8(6-2)10(4)9-3/h6-7H,2-3,5H2,1,4H3/b8-7+.
What are the key properties of (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine?
(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine has a molecular weight of 138.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine is sourced from PubChem (CID 89320182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).