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

C17H30N2O — CID 4157512

IUPACN-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2O/c1-17(2,3)14-9-11-15(12-10-14)18-19-16(20)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,19,20)/b18-15-
InChIKeyKCMKSGCAGMGYPZ-SDXDJHTJSA-N
MW278.44 g/mol
LogP4.28
Rot. Bonds2

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

N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide (PubChem CID 4157512) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide
PubChem CID4157512
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2O/c1-17(2,3)14-9-11-15(12-10-14)18-19-16(20)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,19,20)/b18-15-
InChIKeyKCMKSGCAGMGYPZ-SDXDJHTJSA-N
XLogP4.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]cyclohexanecarboxamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide (CID 4157512) is N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide is CC(C)(C)C1CCC(=NNC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide?
The InChIKey is KCMKSGCAGMGYPZ-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2,3)14-9-11-15(12-10-14)18-19-16(20)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,19,20)/b18-15-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide?
N-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide has a molecular weight of 278.44 g/mol, XLogP of 4.28, 2 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]cyclohexanecarboxamide is sourced from PubChem (CID 4157512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).