N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide

C10H19N3O — CID 163446336

IUPACN-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide
SMILESCNC(CC(C)(C)C)C(=O)NCC#N
InChIInChI=1S/C10H19N3O/c1-10(2,3)7-8(12-4)9(14)13-6-5-11/h8,12H,6-7H2,1-4H3,(H,13,14)
InChIKeyBCVSZVSRGVZKHT-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.65
Rot. Bonds4

About N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide

N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide (PubChem CID 163446336) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide
PubChem CID163446336
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide
SMILESCNC(CC(C)(C)C)C(=O)NCC#N
InChIInChI=1S/C10H19N3O/c1-10(2,3)7-8(12-4)9(14)13-6-5-11/h8,12H,6-7H2,1-4H3,(H,13,14)
InChIKeyBCVSZVSRGVZKHT-UHFFFAOYSA-N
XLogP0.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide?
The IUPAC name of N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide (CID 163446336) is N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide.
What is the SMILES notation for N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide?
The canonical SMILES for N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide is CNC(CC(C)(C)C)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide?
The InChIKey is BCVSZVSRGVZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,3)7-8(12-4)9(14)13-6-5-11/h8,12H,6-7H2,1-4H3,(H,13,14).
What are the key properties of N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide?
N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide has a molecular weight of 197.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide is sourced from PubChem (CID 163446336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).