N-(3-cyanopentan-3-yl)-3-methylbutanamide

C11H20N2O — CID 61121009

IUPACN-(3-cyanopentan-3-yl)-3-methylbutanamide
SMILESCCC(C#N)(CC)NC(=O)CC(C)C
InChIInChI=1S/C11H20N2O/c1-5-11(6-2,8-12)13-10(14)7-9(3)4/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeySWYMIIMBRCEVFE-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.23
Rot. Bonds5

About N-(3-cyanopentan-3-yl)-3-methylbutanamide

N-(3-cyanopentan-3-yl)-3-methylbutanamide (PubChem CID 61121009) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-3-methylbutanamide
PubChem CID61121009
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(3-cyanopentan-3-yl)-3-methylbutanamide
SMILESCCC(C#N)(CC)NC(=O)CC(C)C
InChIInChI=1S/C11H20N2O/c1-5-11(6-2,8-12)13-10(14)7-9(3)4/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeySWYMIIMBRCEVFE-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-3-methylbutanamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-3-methylbutanamide (CID 61121009) is N-(3-cyanopentan-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-3-methylbutanamide is CCC(C#N)(CC)NC(=O)CC(C)C.
What is the InChIKey of N-(3-cyanopentan-3-yl)-3-methylbutanamide?
The InChIKey is SWYMIIMBRCEVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-11(6-2,8-12)13-10(14)7-9(3)4/h9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(3-cyanopentan-3-yl)-3-methylbutanamide?
N-(3-cyanopentan-3-yl)-3-methylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-3-methylbutanamide is sourced from PubChem (CID 61121009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).