N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide

C17H30N2O — CID 171400427

IUPACN-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide
SMILESCCC/C(=N/NC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30N2O/c1-2-9-16(14-10-5-3-6-11-14)18-19-17(20)15-12-7-4-8-13-15/h14-15H,2-13H2,1H3,(H,19,20)/b18-16-
InChIKeyPDRKAGHBXKFQGS-VLGSPTGOSA-N
MW278.44 g/mol
LogP4.42
Rot. Bonds5

About N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide

N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide (PubChem CID 171400427) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide
PubChem CID171400427
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide
SMILESCCC/C(=N/NC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30N2O/c1-2-9-16(14-10-5-3-6-11-14)18-19-17(20)15-12-7-4-8-13-15/h14-15H,2-13H2,1H3,(H,19,20)/b18-16-
InChIKeyPDRKAGHBXKFQGS-VLGSPTGOSA-N
XLogP4.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.42
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-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide (CID 171400427) is N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide is CCC/C(=N/NC(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide?
The InChIKey is PDRKAGHBXKFQGS-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-9-16(14-10-5-3-6-11-14)18-19-17(20)15-12-7-4-8-13-15/h14-15H,2-13H2,1H3,(H,19,20)/b18-16-.
What are the key properties of N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide?
N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide has a molecular weight of 278.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 171400427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).