ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide

C17H34N2O — CID 143529169

IUPACethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
SMILESC=C/N=C/C(=C\C)CCNC(=O)C(C)(C)C.CC.CC
InChIInChI=1S/C13H22N2O.2C2H6/c1-6-11(10-14-7-2)8-9-15-12(16)13(3,4)5;2*1-2/h6-7,10H,2,8-9H2,1,3-5H3,(H,15,16);2*1-2H3/b11-6-,14-10+;;
InChIKeyVQGJICIHAZTFJE-OTIMAZQKSA-N
MW282.47 g/mol
LogP4.75
Rot. Bonds5

About ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide

ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide (PubChem CID 143529169) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Nameethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
PubChem CID143529169
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Nameethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
SMILESC=C/N=C/C(=C\C)CCNC(=O)C(C)(C)C.CC.CC
InChIInChI=1S/C13H22N2O.2C2H6/c1-6-11(10-14-7-2)8-9-15-12(16)13(3,4)5;2*1-2/h6-7,10H,2,8-9H2,1,3-5H3,(H,15,16);2*1-2H3/b11-6-,14-10+;;
InChIKeyVQGJICIHAZTFJE-OTIMAZQKSA-N
XLogP4.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
CID 134406094
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
N-[2-(3H-azepin-4-yl)ethyl]-2,2-dimethylpropanamide;ethane
CID 143529180
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
CID 144603700
2,2-dimethyl-N-[2-(2H-pyrrol-4-yl)ethyl]propanamide
CID 169873603
N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506759
(Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide
CID 143447073
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
CID 143529170
N-[2-(3H-azepin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 143529181

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide?
The IUPAC name of ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide (CID 143529169) is ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide.
What is the SMILES notation for ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide?
The canonical SMILES for ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide is C=C/N=C/C(=C\C)CCNC(=O)C(C)(C)C.CC.CC.
What is the InChIKey of ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide?
The InChIKey is VQGJICIHAZTFJE-OTIMAZQKSA-N. The full InChI is InChI=1S/C13H22N2O.2C2H6/c1-6-11(10-14-7-2)8-9-15-12(16)13(3,4)5;2*1-2/h6-7,10H,2,8-9H2,1,3-5H3,(H,15,16);2*1-2H3/b11-6-,14-10+;;.
What are the key properties of ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide?
ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide has a molecular weight of 282.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 143529169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).