2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid

C13H23NO2 — CID 23175557

IUPAC2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid
SMILESCCCC(C(=O)O)/C(C)=N/C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-7-12(13(15)16)10(2)14-11-8-5-4-6-9-11/h11-12H,3-9H2,1-2H3,(H,15,16)/b14-10+
InChIKeyHWLDWKIZQXOGJC-GXDHUFHOSA-N
MW225.33 g/mol
LogP3.28
Rot. Bonds5

About 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid

2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid (PubChem CID 23175557) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid.

Molecular Properties

Compound Name2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid
PubChem CID23175557
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid
SMILESCCCC(C(=O)O)/C(C)=N/C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-7-12(13(15)16)10(2)14-11-8-5-4-6-9-11/h11-12H,3-9H2,1-2H3,(H,15,16)/b14-10+
InChIKeyHWLDWKIZQXOGJC-GXDHUFHOSA-N
XLogP3.28
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid?
The IUPAC name of 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid (CID 23175557) is 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid.
What is the SMILES notation for 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid?
The canonical SMILES for 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid is CCCC(C(=O)O)/C(C)=N/C1CCCCC1.
What is the InChIKey of 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid?
The InChIKey is HWLDWKIZQXOGJC-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-7-12(13(15)16)10(2)14-11-8-5-4-6-9-11/h11-12H,3-9H2,1-2H3,(H,15,16)/b14-10+.
What are the key properties of 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid?
2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid has a molecular weight of 225.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid is sourced from PubChem (CID 23175557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).