6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane

C16H28N2O — CID 143096492

IUPAC6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane
SMILESCC.CC#C/C=C(\C=C/C)NC(=O)CCCCCN
InChIInChI=1S/C14H22N2O.C2H6/c1-3-5-10-13(9-4-2)16-14(17)11-7-6-8-12-15;1-2/h4,9-10H,6-8,11-12,15H2,1-2H3,(H,16,17);1-2H3/b9-4-,13-10+;
InChIKeySLAVGKICVADTCC-WUQHRIOLSA-N
MW264.41 g/mol
LogP3.13
Rot. Bonds7

About 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane

6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane (PubChem CID 143096492) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane.

Molecular Properties

Compound Name6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane
PubChem CID143096492
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane
SMILESCC.CC#C/C=C(\C=C/C)NC(=O)CCCCCN
InChIInChI=1S/C14H22N2O.C2H6/c1-3-5-10-13(9-4-2)16-14(17)11-7-6-8-12-15;1-2/h4,9-10H,6-8,11-12,15H2,1-2H3,(H,16,17);1-2H3/b9-4-,13-10+;
InChIKeySLAVGKICVADTCC-WUQHRIOLSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.13
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
CID 89215079
6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
CID 143096497
N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide
CID 146437443
6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide
CID 155443579
ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
CID 156841486
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
CID 172329379
6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide
CID 143096493
N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
CID 156841487
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
CID 172329380

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane?
The IUPAC name of 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane (CID 143096492) is 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane.
What is the SMILES notation for 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane?
The canonical SMILES for 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane is CC.CC#C/C=C(\C=C/C)NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane?
The InChIKey is SLAVGKICVADTCC-WUQHRIOLSA-N. The full InChI is InChI=1S/C14H22N2O.C2H6/c1-3-5-10-13(9-4-2)16-14(17)11-7-6-8-12-15;1-2/h4,9-10H,6-8,11-12,15H2,1-2H3,(H,16,17);1-2H3/b9-4-,13-10+;.
What are the key properties of 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane?
6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane has a molecular weight of 264.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane is sourced from PubChem (CID 143096492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).