N-(2-cyanobutan-2-yl)pentanamide

C10H18N2O — CID 21466588

IUPACN-(2-cyanobutan-2-yl)pentanamide
SMILESCCCCC(=O)NC(C)(C#N)CC
InChIInChI=1S/C10H18N2O/c1-4-6-7-9(13)12-10(3,5-2)8-11/h4-7H2,1-3H3,(H,12,13)
InChIKeyGRXDTILVTULFRV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.99
Rot. Bonds5

About N-(2-cyanobutan-2-yl)pentanamide

N-(2-cyanobutan-2-yl)pentanamide (PubChem CID 21466588) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)pentanamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)pentanamide
PubChem CID21466588
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(2-cyanobutan-2-yl)pentanamide
SMILESCCCCC(=O)NC(C)(C#N)CC
InChIInChI=1S/C10H18N2O/c1-4-6-7-9(13)12-10(3,5-2)8-11/h4-7H2,1-3H3,(H,12,13)
InChIKeyGRXDTILVTULFRV-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)pentanamide?
The IUPAC name of N-(2-cyanobutan-2-yl)pentanamide (CID 21466588) is N-(2-cyanobutan-2-yl)pentanamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)pentanamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)pentanamide is CCCCC(=O)NC(C)(C#N)CC.
What is the InChIKey of N-(2-cyanobutan-2-yl)pentanamide?
The InChIKey is GRXDTILVTULFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-6-7-9(13)12-10(3,5-2)8-11/h4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(2-cyanobutan-2-yl)pentanamide?
N-(2-cyanobutan-2-yl)pentanamide has a molecular weight of 182.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)pentanamide is sourced from PubChem (CID 21466588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).