N-[(4-tert-butylcyclohexylidene)amino]nonanamide

C19H36N2O — CID 3348920

IUPACN-[(4-tert-butylcyclohexylidene)amino]nonanamide
SMILESCCCCCCCCC(=O)NN=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H36N2O/c1-5-6-7-8-9-10-11-18(22)21-20-17-14-12-16(13-15-17)19(2,3)4/h16H,5-15H2,1-4H3,(H,21,22)/b20-17-
InChIKeyWUNYMDXVJCOUTN-JZJYNLBNSA-N
MW308.51 g/mol
LogP5.45
Rot. Bonds8

About N-[(4-tert-butylcyclohexylidene)amino]nonanamide

N-[(4-tert-butylcyclohexylidene)amino]nonanamide (PubChem CID 3348920) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]nonanamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]nonanamide
PubChem CID3348920
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]nonanamide
SMILESCCCCCCCCC(=O)NN=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H36N2O/c1-5-6-7-8-9-10-11-18(22)21-20-17-14-12-16(13-15-17)19(2,3)4/h16H,5-15H2,1-4H3,(H,21,22)/b20-17-
InChIKeyWUNYMDXVJCOUTN-JZJYNLBNSA-N
XLogP5.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.45
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-[(4-tert-butylcyclohexylidene)amino]nonanamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]nonanamide (CID 3348920) is N-[(4-tert-butylcyclohexylidene)amino]nonanamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]nonanamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]nonanamide is CCCCCCCCC(=O)NN=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]nonanamide?
The InChIKey is WUNYMDXVJCOUTN-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H36N2O/c1-5-6-7-8-9-10-11-18(22)21-20-17-14-12-16(13-15-17)19(2,3)4/h16H,5-15H2,1-4H3,(H,21,22)/b20-17-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]nonanamide?
N-[(4-tert-butylcyclohexylidene)amino]nonanamide has a molecular weight of 308.51 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]nonanamide is sourced from PubChem (CID 3348920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).