N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide

C10H16N2O — CID 144540767

IUPACN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide
SMILESC=C/C=C(/CNC(=O)CCC)N=C
InChIInChI=1S/C10H16N2O/c1-4-6-9(11-3)8-12-10(13)7-5-2/h4,6H,1,3,5,7-8H2,2H3,(H,12,13)/b9-6-
InChIKeyUOYIALSFKOLZCU-TWGQIWQCSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds6

About N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide

N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide (PubChem CID 144540767) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide.

Molecular Properties

Compound NameN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide
PubChem CID144540767
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide
SMILESC=C/C=C(/CNC(=O)CCC)N=C
InChIInChI=1S/C10H16N2O/c1-4-6-9(11-3)8-12-10(13)7-5-2/h4,6H,1,3,5,7-8H2,2H3,(H,12,13)/b9-6-
InChIKeyUOYIALSFKOLZCU-TWGQIWQCSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
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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Related Compounds

(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide
CID 89347279
N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
CID 123142341
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide
CID 134355532
2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 134406206
N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide
CID 134406752
(2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide
CID 134406798
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide
CID 141868008
N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine
CID 142946544
6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide
CID 143039958
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
CID 143158206
ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158253

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide?
The IUPAC name of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide (CID 144540767) is N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide.
What is the SMILES notation for N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide?
The canonical SMILES for N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide is C=C/C=C(/CNC(=O)CCC)N=C.
What is the InChIKey of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide?
The InChIKey is UOYIALSFKOLZCU-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-9(11-3)8-12-10(13)7-5-2/h4,6H,1,3,5,7-8H2,2H3,(H,12,13)/b9-6-.
What are the key properties of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide?
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide has a molecular weight of 180.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide is sourced from PubChem (CID 144540767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).