N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide

C10H19N3O — CID 43372205

IUPACN-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
SMILESCC(C)CC(C)NCC(=O)NCC#N
InChIInChI=1S/C10H19N3O/c1-8(2)6-9(3)13-7-10(14)12-5-4-11/h8-9,13H,5-7H2,1-3H3,(H,12,14)
InChIKeyWAKQLHCLYBDUDR-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.65
Rot. Bonds6

About N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide

N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide (PubChem CID 43372205) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
PubChem CID43372205
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
SMILESCC(C)CC(C)NCC(=O)NCC#N
InChIInChI=1S/C10H19N3O/c1-8(2)6-9(3)13-7-10(14)12-5-4-11/h8-9,13H,5-7H2,1-3H3,(H,12,14)
InChIKeyWAKQLHCLYBDUDR-UHFFFAOYSA-N
XLogP0.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
N-(cyanomethyl)-2-(octan-2-ylamino)acetamide
CID 61476793
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
N-(cyanomethyl)-3-methylbutanamide
CID 4630751
N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide
CID 43499785
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81356886
N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
CID 102698102
N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 81400149
N,N-dimethyl-2-(4-methylpentan-2-ylamino)acetamide
CID 43310901

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide (CID 43372205) is N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide is CC(C)CC(C)NCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide?
The InChIKey is WAKQLHCLYBDUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)6-9(3)13-7-10(14)12-5-4-11/h8-9,13H,5-7H2,1-3H3,(H,12,14).
What are the key properties of N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide?
N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide has a molecular weight of 197.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide is sourced from PubChem (CID 43372205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).