N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide

C17H32N2O — CID 101183573

IUPACN-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)N/C(=N/C1CCCCC1)C(C)(C)C
InChIInChI=1S/C17H32N2O/c1-6-10-13(2)15(20)19-16(17(3,4)5)18-14-11-8-7-9-12-14/h13-14H,6-12H2,1-5H3,(H,18,19,20)
InChIKeyLDYCSPDTKLZSMR-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.32
Rot. Bonds4

About N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide

N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide (PubChem CID 101183573) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide
PubChem CID101183573
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)N/C(=N/C1CCCCC1)C(C)(C)C
InChIInChI=1S/C17H32N2O/c1-6-10-13(2)15(20)19-16(17(3,4)5)18-14-11-8-7-9-12-14/h13-14H,6-12H2,1-5H3,(H,18,19,20)
InChIKeyLDYCSPDTKLZSMR-UHFFFAOYSA-N
XLogP4.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide?
The IUPAC name of N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide (CID 101183573) is N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide.
What is the SMILES notation for N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide?
The canonical SMILES for N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide is CCCC(C)C(=O)N/C(=N/C1CCCCC1)C(C)(C)C.
What is the InChIKey of N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide?
The InChIKey is LDYCSPDTKLZSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-10-13(2)15(20)19-16(17(3,4)5)18-14-11-8-7-9-12-14/h13-14H,6-12H2,1-5H3,(H,18,19,20).
What are the key properties of N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide?
N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide has a molecular weight of 280.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide is sourced from PubChem (CID 101183573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).