N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide

C18H32N2O — CID 171400400

IUPACN-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide
SMILESCCC/C(=N\NC(=O)C1CCCC(C)C1)C1CCCCC1
InChIInChI=1S/C18H32N2O/c1-3-8-17(15-10-5-4-6-11-15)19-20-18(21)16-12-7-9-14(2)13-16/h14-16H,3-13H2,1-2H3,(H,20,21)/b19-17+
InChIKeyYDFCENTZISOEID-HTXNQAPBSA-N
MW292.47 g/mol
LogP4.67
Rot. Bonds5

About N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide

N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide (PubChem CID 171400400) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide
PubChem CID171400400
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide
SMILESCCC/C(=N\NC(=O)C1CCCC(C)C1)C1CCCCC1
InChIInChI=1S/C18H32N2O/c1-3-8-17(15-10-5-4-6-11-15)19-20-18(21)16-12-7-9-14(2)13-16/h14-16H,3-13H2,1-2H3,(H,20,21)/b19-17+
InChIKeyYDFCENTZISOEID-HTXNQAPBSA-N
XLogP4.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.67
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-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide (CID 171400400) is N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide is CCC/C(=N\NC(=O)C1CCCC(C)C1)C1CCCCC1.
What is the InChIKey of N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide?
The InChIKey is YDFCENTZISOEID-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-8-17(15-10-5-4-6-11-15)19-20-18(21)16-12-7-9-14(2)13-16/h14-16H,3-13H2,1-2H3,(H,20,21)/b19-17+.
What are the key properties of N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide?
N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 171400400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).