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

C19H34N2O — CID 171400443

IUPACN-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide
SMILESCCCC/C(=N\NC(=O)C1CCCC(C)C1)C1CCCCC1
InChIInChI=1S/C19H34N2O/c1-3-4-13-18(16-10-6-5-7-11-16)20-21-19(22)17-12-8-9-15(2)14-17/h15-17H,3-14H2,1-2H3,(H,21,22)/b20-18+
InChIKeyFTHVITFRTHXIGL-CZIZESTLSA-N
MW306.49 g/mol
LogP5.06
Rot. Bonds6

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

N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide (PubChem CID 171400443) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide
PubChem CID171400443
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide
SMILESCCCC/C(=N\NC(=O)C1CCCC(C)C1)C1CCCCC1
InChIInChI=1S/C19H34N2O/c1-3-4-13-18(16-10-6-5-7-11-16)20-21-19(22)17-12-8-9-15(2)14-17/h15-17H,3-14H2,1-2H3,(H,21,22)/b20-18+
InChIKeyFTHVITFRTHXIGL-CZIZESTLSA-N
XLogP5.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.06
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-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide (CID 171400443) is N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide is CCCC/C(=N\NC(=O)C1CCCC(C)C1)C1CCCCC1.
What is the InChIKey of N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide?
The InChIKey is FTHVITFRTHXIGL-CZIZESTLSA-N. The full InChI is InChI=1S/C19H34N2O/c1-3-4-13-18(16-10-6-5-7-11-16)20-21-19(22)17-12-8-9-15(2)14-17/h15-17H,3-14H2,1-2H3,(H,21,22)/b20-18+.
What are the key properties of N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide?
N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide has a molecular weight of 306.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 171400443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).