N-(hexan-2-ylideneamino)heptanamide

C13H26N2O — CID 4616391

IUPACN-(hexan-2-ylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C(C)CCCC
InChIInChI=1S/C13H26N2O/c1-4-6-8-9-11-13(16)15-14-12(3)10-7-5-2/h4-11H2,1-3H3,(H,15,16)
InChIKeyYQBWWQOJVUVQQV-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.64
Rot. Bonds9

About N-(hexan-2-ylideneamino)heptanamide

N-(hexan-2-ylideneamino)heptanamide (PubChem CID 4616391) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(hexan-2-ylideneamino)heptanamide.

Molecular Properties

Compound NameN-(hexan-2-ylideneamino)heptanamide
PubChem CID4616391
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(hexan-2-ylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C(C)CCCC
InChIInChI=1S/C13H26N2O/c1-4-6-8-9-11-13(16)15-14-12(3)10-7-5-2/h4-11H2,1-3H3,(H,15,16)
InChIKeyYQBWWQOJVUVQQV-UHFFFAOYSA-N
XLogP3.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide
CID 6005441
N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
(nonadec-10-en-2-ylideneamino)urea
CID 71326598
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
N-(2,4-dimethylpentan-3-ylideneamino)undecanamide
CID 5187619
N-(3,4-dimethylphenyl)-N'-[(E)-heptan-2-ylideneamino]butanediamide
CID 54784789
N-(1-phenylpentylideneamino)octanamide
CID 4676930
6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide
CID 156522659

Frequently Asked Questions

What is the IUPAC name of N-(hexan-2-ylideneamino)heptanamide?
The IUPAC name of N-(hexan-2-ylideneamino)heptanamide (CID 4616391) is N-(hexan-2-ylideneamino)heptanamide.
What is the SMILES notation for N-(hexan-2-ylideneamino)heptanamide?
The canonical SMILES for N-(hexan-2-ylideneamino)heptanamide is CCCCCCC(=O)NN=C(C)CCCC.
What is the InChIKey of N-(hexan-2-ylideneamino)heptanamide?
The InChIKey is YQBWWQOJVUVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-8-9-11-13(16)15-14-12(3)10-7-5-2/h4-11H2,1-3H3,(H,15,16).
What are the key properties of N-(hexan-2-ylideneamino)heptanamide?
N-(hexan-2-ylideneamino)heptanamide has a molecular weight of 226.36 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexan-2-ylideneamino)heptanamide is sourced from PubChem (CID 4616391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).