N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide

C11H18N2O — CID 163956379

IUPACN-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide
SMILESC=N/C=C\C/C=C(/C)CN(C)C(C)=O
InChIInChI=1S/C11H18N2O/c1-10(7-5-6-8-12-3)9-13(4)11(2)14/h6-8H,3,5,9H2,1-2,4H3/b8-6-,10-7-
InChIKeySDSNEWRQBDZLIC-YOYBIJIWSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide

N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide (PubChem CID 163956379) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide
PubChem CID163956379
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide
SMILESC=N/C=C\C/C=C(/C)CN(C)C(C)=O
InChIInChI=1S/C11H18N2O/c1-10(7-5-6-8-12-3)9-13(4)11(2)14/h6-8H,3,5,9H2,1-2,4H3/b8-6-,10-7-
InChIKeySDSNEWRQBDZLIC-YOYBIJIWSA-N
XLogP2.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethenyl-N-[(2Z,6Z)-2-methylnona-2,6-dienyl]acetamide
CID 57711079
N-ethenyl-N-[(2E,6Z)-2-methylnona-2,6-dienyl]acetamide
CID 57711509
N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide
CID 76600115
ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone
CID 142586837
ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143432445
N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide
CID 143560236
N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide
CID 166703379
N-[(E)-hex-2-enyl]-2-methyl-N-(2-methylprop-1-enyl)propanamide
CID 11775772
1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone
CID 142586838
N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143432446

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide?
The IUPAC name of N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide (CID 163956379) is N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide.
What is the SMILES notation for N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide?
The canonical SMILES for N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide is C=N/C=C\C/C=C(/C)CN(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide?
The InChIKey is SDSNEWRQBDZLIC-YOYBIJIWSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(7-5-6-8-12-3)9-13(4)11(2)14/h6-8H,3,5,9H2,1-2,4H3/b8-6-,10-7-.
What are the key properties of N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide?
N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide has a molecular weight of 194.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide is sourced from PubChem (CID 163956379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).