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

C14H22N2O — CID 143096493

IUPAC6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide
SMILESCC#C/C=C(\C=C/C)NC(=O)CCCCCN
InChIInChI=1S/C14H22N2O/c1-3-5-10-13(9-4-2)16-14(17)11-7-6-8-12-15/h4,9-10H,6-8,11-12,15H2,1-2H3,(H,16,17)/b9-4-,13-10+
InChIKeyBTDFDIQMJGMJJN-SYSNKNSLSA-N
MW234.34 g/mol
LogP2.11
Rot. Bonds7

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

6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide (PubChem CID 143096493) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide
PubChem CID143096493
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide
SMILESCC#C/C=C(\C=C/C)NC(=O)CCCCCN
InChIInChI=1S/C14H22N2O/c1-3-5-10-13(9-4-2)16-14(17)11-7-6-8-12-15/h4,9-10H,6-8,11-12,15H2,1-2H3,(H,16,17)/b9-4-,13-10+
InChIKeyBTDFDIQMJGMJJN-SYSNKNSLSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.11
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'}

Analyze 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide with MolForge

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Related Compounds

but-2-enoyl 8-aminooctanoate
CID 174837236
20-amino-N-hydroxyicosanamide
CID 87686702
14-amino-N-hydroxytetradecanamide
CID 87686192
27-amino-N-hydroxyheptacosanamide
CID 87684790
7-amino-N-(cyanomethyl)heptanamide
CID 61254077
9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide
CID 90775601
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
(2E)-7-amino-2-ethylideneheptanoic acid
CID 172696017
5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine
CID 146259458
6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride
CID 44783950
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide?
The IUPAC name of 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide (CID 143096493) is 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide?
The canonical SMILES for 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide is 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?
The InChIKey is BTDFDIQMJGMJJN-SYSNKNSLSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-10-13(9-4-2)16-14(17)11-7-6-8-12-15/h4,9-10H,6-8,11-12,15H2,1-2H3,(H,16,17)/b9-4-,13-10+.
What are the key properties of 6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide?
6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide has a molecular weight of 234.34 g/mol, XLogP of 2.11, 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 is sourced from PubChem (CID 143096493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).