N,2-dibutyl-2-cyanohexanamide

C15H28N2O — CID 87308818

IUPACN,2-dibutyl-2-cyanohexanamide
SMILESCCCCNC(=O)C(C#N)(CCCC)CCCC
InChIInChI=1S/C15H28N2O/c1-4-7-10-15(13-16,11-8-5-2)14(18)17-12-9-6-3/h4-12H2,1-3H3,(H,17,18)
InChIKeyYPHYWNWZSRKYEL-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.79
Rot. Bonds10

About N,2-dibutyl-2-cyanohexanamide

N,2-dibutyl-2-cyanohexanamide (PubChem CID 87308818) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N,2-dibutyl-2-cyanohexanamide.

Molecular Properties

Compound NameN,2-dibutyl-2-cyanohexanamide
PubChem CID87308818
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN,2-dibutyl-2-cyanohexanamide
SMILESCCCCNC(=O)C(C#N)(CCCC)CCCC
InChIInChI=1S/C15H28N2O/c1-4-7-10-15(13-16,11-8-5-2)14(18)17-12-9-6-3/h4-12H2,1-3H3,(H,17,18)
InChIKeyYPHYWNWZSRKYEL-UHFFFAOYSA-N
XLogP3.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dibutyl-2-cyanohexanamide?
The IUPAC name of N,2-dibutyl-2-cyanohexanamide (CID 87308818) is N,2-dibutyl-2-cyanohexanamide.
What is the SMILES notation for N,2-dibutyl-2-cyanohexanamide?
The canonical SMILES for N,2-dibutyl-2-cyanohexanamide is CCCCNC(=O)C(C#N)(CCCC)CCCC.
What is the InChIKey of N,2-dibutyl-2-cyanohexanamide?
The InChIKey is YPHYWNWZSRKYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-7-10-15(13-16,11-8-5-2)14(18)17-12-9-6-3/h4-12H2,1-3H3,(H,17,18).
What are the key properties of N,2-dibutyl-2-cyanohexanamide?
N,2-dibutyl-2-cyanohexanamide has a molecular weight of 252.40 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dibutyl-2-cyanohexanamide is sourced from PubChem (CID 87308818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).