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

C14H24N2O — CID 156841487

IUPACN-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
SMILESC=C(/C=C\C(=C)NC(=O)CCCCCC)NC
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-9-14(17)16-13(3)11-10-12(2)15-4/h10-11,15H,2-3,5-9H2,1,4H3,(H,16,17)/b11-10-
InChIKeyQUXRTZBUXUFQSS-KHPPLWFESA-N
MW236.36 g/mol
LogP2.88
Rot. Bonds9

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

N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide (PubChem CID 156841487) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide.

Molecular Properties

Compound NameN-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
PubChem CID156841487
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
SMILESC=C(/C=C\C(=C)NC(=O)CCCCCC)NC
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-9-14(17)16-13(3)11-10-12(2)15-4/h10-11,15H,2-3,5-9H2,1,4H3,(H,16,17)/b11-10-
InChIKeyQUXRTZBUXUFQSS-KHPPLWFESA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.88
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-[(3E,5E)-5,7-difluorohepta-1,3,5-trien-3-yl]-5-(methylamino)pentanamide
CID 89214855
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
5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
CID 89215079
N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide
CID 123635058
6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide
CID 143039958
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
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

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide?
The IUPAC name of N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide (CID 156841487) is N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide.
What is the SMILES notation for N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide?
The canonical SMILES for N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide is C=C(/C=C\C(=C)NC(=O)CCCCCC)NC.
What is the InChIKey of N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide?
The InChIKey is QUXRTZBUXUFQSS-KHPPLWFESA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-7-8-9-14(17)16-13(3)11-10-12(2)15-4/h10-11,15H,2-3,5-9H2,1,4H3,(H,16,17)/b11-10-.
What are the key properties of N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide?
N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide has a molecular weight of 236.36 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide is sourced from PubChem (CID 156841487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).