ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide

C16H29NO — CID 143222339

IUPACethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide
SMILESC/C=C\C=C(/C=C\C)C(C)CCCC(N)=O.CC
InChIInChI=1S/C14H23NO.C2H6/c1-4-6-10-13(8-5-2)12(3)9-7-11-14(15)16;1-2/h4-6,8,10,12H,7,9,11H2,1-3H3,(H2,15,16);1-2H3/b6-4-,8-5-,13-10+;
InChIKeyVRYMBMWDJOWHOM-VQKWTORQSA-N
MW251.41 g/mol
LogP4.38
Rot. Bonds7

About ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide

ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide (PubChem CID 143222339) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide.

Molecular Properties

Compound Nameethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide
PubChem CID143222339
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Nameethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide
SMILESC/C=C\C=C(/C=C\C)C(C)CCCC(N)=O.CC
InChIInChI=1S/C14H23NO.C2H6/c1-4-6-10-13(8-5-2)12(3)9-7-11-14(15)16;1-2/h4-6,8,10,12H,7,9,11H2,1-3H3,(H2,15,16);1-2H3/b6-4-,8-5-,13-10+;
InChIKeyVRYMBMWDJOWHOM-VQKWTORQSA-N
XLogP4.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(5S)-5-aminohexanamide;hydrochloride
CID 174367343
[(2R)-6-amino-6-oxohexan-2-yl]azanide
CID 58593495
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
2-methylnon-7-enamide
CID 142782091
4-hydroxypentyl (E)-but-2-enoate
CID 88654107
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
CID 167457633
(E)-hept-5-enamide
CID 18415105
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590

Frequently Asked Questions

What is the IUPAC name of ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide?
The IUPAC name of ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide (CID 143222339) is ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide.
What is the SMILES notation for ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide?
The canonical SMILES for ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide is C/C=C\C=C(/C=C\C)C(C)CCCC(N)=O.CC.
What is the InChIKey of ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide?
The InChIKey is VRYMBMWDJOWHOM-VQKWTORQSA-N. The full InChI is InChI=1S/C14H23NO.C2H6/c1-4-6-10-13(8-5-2)12(3)9-7-11-14(15)16;1-2/h4-6,8,10,12H,7,9,11H2,1-3H3,(H2,15,16);1-2H3/b6-4-,8-5-,13-10+;.
What are the key properties of ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide?
ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide has a molecular weight of 251.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide is sourced from PubChem (CID 143222339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).