ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide

C14H28N2O — CID 143810965

IUPACethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
SMILESC=C/C(C)=C(\N=C)C(=O)N(C)CC.CC.CC
InChIInChI=1S/C10H16N2O.2C2H6/c1-6-8(3)9(11-4)10(13)12(5)7-2;2*1-2/h6H,1,4,7H2,2-3,5H3;2*1-2H3/b9-8-;;
InChIKeyCDWZNGQUIASKRQ-ULDSSAIZSA-N
MW240.39 g/mol
LogP3.68
Rot. Bonds4

About ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide

ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide (PubChem CID 143810965) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide.

Molecular Properties

Compound Nameethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
PubChem CID143810965
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
SMILESC=C/C(C)=C(\N=C)C(=O)N(C)CC.CC.CC
InChIInChI=1S/C10H16N2O.2C2H6/c1-6-8(3)9(11-4)10(13)12(5)7-2;2*1-2/h6H,1,4,7H2,2-3,5H3;2*1-2H3/b9-8-;;
InChIKeyCDWZNGQUIASKRQ-ULDSSAIZSA-N
XLogP3.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
(2Z)-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide;ethane
CID 144293754
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
Ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 145394076
ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416254
3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416255
Ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145416260
3-Ethenyl-1-methyl-4-(methylideneamino)pyrrole-2,5-dione
CID 145558722
ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 169120648

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide?
The IUPAC name of ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide (CID 143810965) is ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide.
What is the SMILES notation for ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide?
The canonical SMILES for ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide is C=C/C(C)=C(\N=C)C(=O)N(C)CC.CC.CC.
What is the InChIKey of ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide?
The InChIKey is CDWZNGQUIASKRQ-ULDSSAIZSA-N. The full InChI is InChI=1S/C10H16N2O.2C2H6/c1-6-8(3)9(11-4)10(13)12(5)7-2;2*1-2/h6H,1,4,7H2,2-3,5H3;2*1-2H3/b9-8-;;.
What are the key properties of ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide?
ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide has a molecular weight of 240.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide is sourced from PubChem (CID 143810965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).