ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide

C16H30N2O — CID 156841486

IUPACethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
SMILESC=C(/C=C\C(=C)NC(=O)CCCCCC)NC.CC
InChIInChI=1S/C14H24N2O.C2H6/c1-5-6-7-8-9-14(17)16-13(3)11-10-12(2)15-4;1-2/h10-11,15H,2-3,5-9H2,1,4H3,(H,16,17);1-2H3/b11-10-;
InChIKeyJFTHTAPSPWSYEJ-GMFCBQQYSA-N
MW266.43 g/mol
LogP3.90
Rot. Bonds9

About ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide

ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide (PubChem CID 156841486) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide.

Molecular Properties

Compound Nameethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
PubChem CID156841486
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Nameethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
SMILESC=C(/C=C\C(=C)NC(=O)CCCCCC)NC.CC
InChIInChI=1S/C14H24N2O.C2H6/c1-5-6-7-8-9-14(17)16-13(3)11-10-12(2)15-4;1-2/h10-11,15H,2-3,5-9H2,1,4H3,(H,16,17);1-2H3/b11-10-;
InChIKeyJFTHTAPSPWSYEJ-GMFCBQQYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide
CID 58637536
N-(cyclobutadienyl)tetradecanamide
CID 68365184
N'-hydroxy-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]octanediamide
CID 88945245
5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
CID 89215079
N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
CID 126554359
N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene
CID 142895284
6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane
CID 143096492
6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
CID 143096497
N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide
CID 143808410
N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide;propane
CID 143986751
6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide
CID 155443579
8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide
CID 166815291

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide?
The IUPAC name of ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide (CID 156841486) is ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide.
What is the SMILES notation for ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide?
The canonical SMILES for ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide is C=C(/C=C\C(=C)NC(=O)CCCCCC)NC.CC.
What is the InChIKey of ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide?
The InChIKey is JFTHTAPSPWSYEJ-GMFCBQQYSA-N. The full InChI is InChI=1S/C14H24N2O.C2H6/c1-5-6-7-8-9-14(17)16-13(3)11-10-12(2)15-4;1-2/h10-11,15H,2-3,5-9H2,1,4H3,(H,16,17);1-2H3/b11-10-;.
What are the key properties of ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide?
ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide has a molecular weight of 266.43 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide is sourced from PubChem (CID 156841486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).