N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide

C13H22N2O — CID 63822324

IUPACN-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NC(C#N)C1CC1)C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-9(13(2,3)4)7-12(16)15-11(8-14)10-5-6-10/h9-11H,5-7H2,1-4H3,(H,15,16)
InChIKeyHEYCKGHZOOQIEA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds4

About N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide

N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide (PubChem CID 63822324) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide
PubChem CID63822324
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NC(C#N)C1CC1)C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-9(13(2,3)4)7-12(16)15-11(8-14)10-5-6-10/h9-11H,5-7H2,1-4H3,(H,15,16)
InChIKeyHEYCKGHZOOQIEA-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide (CID 63822324) is N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide is CC(CC(=O)NC(C#N)C1CC1)C(C)(C)C.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide?
The InChIKey is HEYCKGHZOOQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(13(2,3)4)7-12(16)15-11(8-14)10-5-6-10/h9-11H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide?
N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide has a molecular weight of 222.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63822324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).