(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide

C12H19NO — CID 156853441

IUPAC(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
SMILESC=C(C)/C=C\C(=C)C(=O)N(CC)CC
InChIInChI=1S/C12H19NO/c1-6-13(7-2)12(14)11(5)9-8-10(3)4/h8-9H,3,5-7H2,1-2,4H3/b9-8-
InChIKeyLBNNYFPCDVFFMH-HJWRWDBZSA-N
MW193.29 g/mol
LogP2.54
Rot. Bonds5

About (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide

(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide (PubChem CID 156853441) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
PubChem CID156853441
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
SMILESC=C(C)/C=C\C(=C)C(=O)N(CC)CC
InChIInChI=1S/C12H19NO/c1-6-13(7-2)12(14)11(5)9-8-10(3)4/h8-9H,3,5-7H2,1-2,4H3/b9-8-
InChIKeyLBNNYFPCDVFFMH-HJWRWDBZSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
N,N-diethyl-2,3-dimethylbut-2-enamide
CID 566252
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
3-amino-N,N-diethyl-2-methylprop-2-enamide
CID 173332557
(3E)-4-(diethylamino)-5-methylhexa-3,5-dien-2-one
CID 121220213
(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene
CID 144536810
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
CID 143933748

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide?
The IUPAC name of (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide (CID 156853441) is (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide.
What is the SMILES notation for (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide?
The canonical SMILES for (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide is C=C(C)/C=C\C(=C)C(=O)N(CC)CC.
What is the InChIKey of (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide?
The InChIKey is LBNNYFPCDVFFMH-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H19NO/c1-6-13(7-2)12(14)11(5)9-8-10(3)4/h8-9H,3,5-7H2,1-2,4H3/b9-8-.
What are the key properties of (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide?
(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide has a molecular weight of 193.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide is sourced from PubChem (CID 156853441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).