N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide

C14H24N2O — CID 143808410

IUPACN-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide
SMILESC=C(NC(=O)CCCCCC)/C(N)=C\C=C/C
InChIInChI=1S/C14H24N2O/c1-4-6-8-9-11-14(17)16-12(3)13(15)10-7-5-2/h5,7,10H,3-4,6,8-9,11,15H2,1-2H3,(H,16,17)/b7-5-,13-10+
InChIKeyOSIGIYKZISFDFF-PBHGGESISA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds8

About N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide

N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide (PubChem CID 143808410) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide.

Molecular Properties

Compound NameN-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide
PubChem CID143808410
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide
SMILESC=C(NC(=O)CCCCCC)/C(N)=C\C=C/C
InChIInChI=1S/C14H24N2O/c1-4-6-8-9-11-14(17)16-12(3)13(15)10-7-5-2/h5,7,10H,3-4,6,8-9,11,15H2,1-2H3,(H,16,17)/b7-5-,13-10+
InChIKeyOSIGIYKZISFDFF-PBHGGESISA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
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-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide
CID 88613344
N'-hydroxy-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]octanediamide
CID 88945245
N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide
CID 123635058
N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
CID 126554359
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene
CID 142895284
6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
CID 143096497
N-[(Z)-but-2-en-2-yl]nonanamide
CID 150035413
ethane;N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
CID 156841486
N-(4-aminopenta-2,4-dienoyl)octanamide
CID 158349493

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide?
The IUPAC name of N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide (CID 143808410) is N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide.
What is the SMILES notation for N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide?
The canonical SMILES for N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide is C=C(NC(=O)CCCCCC)/C(N)=C\C=C/C.
What is the InChIKey of N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide?
The InChIKey is OSIGIYKZISFDFF-PBHGGESISA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-6-8-9-11-14(17)16-12(3)13(15)10-7-5-2/h5,7,10H,3-4,6,8-9,11,15H2,1-2H3,(H,16,17)/b7-5-,13-10+.
What are the key properties of N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide?
N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide has a molecular weight of 236.36 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide is sourced from PubChem (CID 143808410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).