(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide

C8H12N2O2 — CID 102438921

IUPAC(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide
SMILESCNC(=O)/C=C\C=C/C(=O)NC
InChIInChI=1S/C8H12N2O2/c1-9-7(11)5-3-4-6-8(12)10-2/h3-6H,1-2H3,(H,9,11)(H,10,12)/b5-3-,6-4-
InChIKeyDZKSPASFSHUXQK-GLIMQPGKSA-N
MW168.20 g/mol
LogP-0.41
Rot. Bonds3

About (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide

(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide (PubChem CID 102438921) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide.

Molecular Properties

Compound Name(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide
PubChem CID102438921
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide
SMILESCNC(=O)/C=C\C=C/C(=O)NC
InChIInChI=1S/C8H12N2O2/c1-9-7(11)5-3-4-6-8(12)10-2/h3-6H,1-2H3,(H,9,11)(H,10,12)/b5-3-,6-4-
InChIKeyDZKSPASFSHUXQK-GLIMQPGKSA-N
XLogP-0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethylbut-2-enediamide
CID 54344026
(2E,4Z)-N-methyldeca-2,4-dienamide
CID 87311130
N-methyltetradeca-2,4-dienamide
CID 123476396
N-methylhexadeca-2,4-dienamide
CID 123429480
N-methyl-3-sulfanylprop-2-enamide;silver
CID 173393261
4-(methylamino)-4-oxobut-2-enoate
CID 6992861
4-(methylamino)-4-oxobut-2-enoyl chloride
CID 91428826
methane;methyl (Z)-4-(methylamino)-4-oxobut-2-enoate
CID 162090264
(E)-N-methyl-4-oxohex-2-enamide
CID 135176145
CID 59900877
CID 59900877
copper;methylcarbamothioic S-acid
CID 161427442
(2Z,4Z)-hexa-2,4-dienedihydrazide
CID 88838427

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide?
The IUPAC name of (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide (CID 102438921) is (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide.
What is the SMILES notation for (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide?
The canonical SMILES for (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide is CNC(=O)/C=C\C=C/C(=O)NC.
What is the InChIKey of (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide?
The InChIKey is DZKSPASFSHUXQK-GLIMQPGKSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-9-7(11)5-3-4-6-8(12)10-2/h3-6H,1-2H3,(H,9,11)(H,10,12)/b5-3-,6-4-.
What are the key properties of (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide?
(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide has a molecular weight of 168.20 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide is sourced from PubChem (CID 102438921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).