N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide

C17H34N2O — CID 86613071

IUPACN-[(Z)-3,5,5-trimethylhexylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C\CC(C)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-6-7-8-9-10-11-16(20)19-18-13-12-15(2)14-17(3,4)5/h13,15H,6-12,14H2,1-5H3,(H,19,20)/b18-13-
InChIKeyPNSPSCJBNXGHJR-AQTBWJFISA-N
MW282.47 g/mol
LogP4.91
Rot. Bonds10

About N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide

N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide (PubChem CID 86613071) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide.

Molecular Properties

Compound NameN-[(Z)-3,5,5-trimethylhexylideneamino]octanamide
PubChem CID86613071
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[(Z)-3,5,5-trimethylhexylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C\CC(C)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-6-7-8-9-10-11-16(20)19-18-13-12-15(2)14-17(3,4)5/h13,15H,6-12,14H2,1-5H3,(H,19,20)/b18-13-
InChIKeyPNSPSCJBNXGHJR-AQTBWJFISA-N
XLogP4.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.91
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide?
The IUPAC name of N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide (CID 86613071) is N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide.
What is the SMILES notation for N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide?
The canonical SMILES for N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide is CCCCCCCC(=O)N/N=C\CC(C)CC(C)(C)C.
What is the InChIKey of N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide?
The InChIKey is PNSPSCJBNXGHJR-AQTBWJFISA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-7-8-9-10-11-16(20)19-18-13-12-15(2)14-17(3,4)5/h13,15H,6-12,14H2,1-5H3,(H,19,20)/b18-13-.
What are the key properties of N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide?
N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide has a molecular weight of 282.47 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,5,5-trimethylhexylideneamino]octanamide is sourced from PubChem (CID 86613071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).