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

C10H18N2O — CID 144540766

IUPACN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen
SMILESC=C/C=C(/CNC(=O)CCC)N=C.[H][H]
InChIInChI=1S/C10H16N2O.H2/c1-4-6-9(11-3)8-12-10(13)7-5-2;/h4,6H,1,3,5,7-8H2,2H3,(H,12,13);1H/b9-6-;
InChIKeyMDCNYNONYSVTRM-BORNJIKYSA-N
MW182.27 g/mol
LogP1.92
Rot. Bonds6

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

N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen (PubChem CID 144540766) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen
PubChem CID144540766
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen
SMILESC=C/C=C(/CNC(=O)CCC)N=C.[H][H]
InChIInChI=1S/C10H16N2O.H2/c1-4-6-9(11-3)8-12-10(13)7-5-2;/h4,6H,1,3,5,7-8H2,2H3,(H,12,13);1H/b9-6-;
InChIKeyMDCNYNONYSVTRM-BORNJIKYSA-N
XLogP1.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.92
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;molecular hydrogen?
The IUPAC name of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen (CID 144540766) is N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen.
What is the SMILES notation for N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen?
The canonical SMILES for N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen is C=C/C=C(/CNC(=O)CCC)N=C.[H][H].
What is the InChIKey of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen?
The InChIKey is MDCNYNONYSVTRM-BORNJIKYSA-N. The full InChI is InChI=1S/C10H16N2O.H2/c1-4-6-9(11-3)8-12-10(13)7-5-2;/h4,6H,1,3,5,7-8H2,2H3,(H,12,13);1H/b9-6-;.
What are the key properties of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen?
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen has a molecular weight of 182.27 g/mol, XLogP of 1.92, 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;molecular hydrogen is sourced from PubChem (CID 144540766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).