N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide

C12H20N2O — CID 146416723

IUPACN-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide
SMILESC=N/C=C\C(C)=C(/CC)CNC(=O)CC
InChIInChI=1S/C12H20N2O/c1-5-11(9-14-12(15)6-2)10(3)7-8-13-4/h7-8H,4-6,9H2,1-3H3,(H,14,15)/b8-7-,11-10+
InChIKeyASGYBAAVVKVZMX-QEFCTBRHSA-N
MW208.30 g/mol
LogP2.45
Rot. Bonds6

About N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide

N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide (PubChem CID 146416723) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide
PubChem CID146416723
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide
SMILESC=N/C=C\C(C)=C(/CC)CNC(=O)CC
InChIInChI=1S/C12H20N2O/c1-5-11(9-14-12(15)6-2)10(3)7-8-13-4/h7-8H,4-6,9H2,1-3H3,(H,14,15)/b8-7-,11-10+
InChIKeyASGYBAAVVKVZMX-QEFCTBRHSA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.45
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

N-[(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienyl]butanamide
CID 88900993
(3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide
CID 89068370
(2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide
CID 89193638
N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide
CID 123618064
(Z)-N-(3-aminobutyl)-2-methylidene-4-(methylideneamino)hex-3-enamide
CID 124181257
(Z)-N-ethyl-2-methylidene-4-(methylideneamino)hex-3-enamide
CID 124182391
(Z)-N-ethyl-2-methylidene-4-(methylideneamino)-5-[prop-2-enoyl-[(E)-prop-1-enyl]amino]pent-3-enamide
CID 124182770
N-[2-(1,2-dihydropyridin-4-yl)ethyl]-N-ethylacetamide
CID 141886152
2,2-dimethyl-N-[(3Z)-3-(methylideneamino)hexa-3,5-dienyl]propanamide
CID 141975577
N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]propanamide
CID 142817717
N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide
CID 143108257
N-(3H-azepin-4-ylmethyl)acetamide
CID 143108270

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide?
The IUPAC name of N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide (CID 146416723) is N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide.
What is the SMILES notation for N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide?
The canonical SMILES for N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide is C=N/C=C\C(C)=C(/CC)CNC(=O)CC.
What is the InChIKey of N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide?
The InChIKey is ASGYBAAVVKVZMX-QEFCTBRHSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-11(9-14-12(15)6-2)10(3)7-8-13-4/h7-8H,4-6,9H2,1-3H3,(H,14,15)/b8-7-,11-10+.
What are the key properties of N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide?
N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide has a molecular weight of 208.30 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide is sourced from PubChem (CID 146416723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).