N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide

C8H15N3O — CID 62835754

IUPACN-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCC#N
InChIInChI=1S/C8H15N3O/c1-4-11-8(2,3)7(12)10-6-5-9/h11H,4,6H2,1-3H3,(H,10,12)
InChIKeyGJHJZVCBPKLDHG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.01
Rot. Bonds4

About N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide

N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 62835754) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID62835754
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCC#N
InChIInChI=1S/C8H15N3O/c1-4-11-8(2,3)7(12)10-6-5-9/h11H,4,6H2,1-3H3,(H,10,12)
InChIKeyGJHJZVCBPKLDHG-UHFFFAOYSA-N
XLogP0.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.01
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-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
CID 62832671
2-(ethylamino)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761328
2-(ethylamino)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79362603
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159
N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62831725
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
CID 62834257
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176397
2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide
CID 63958213
2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255258
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 62836702
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide (CID 62835754) is N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is GJHJZVCBPKLDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-11-8(2,3)7(12)10-6-5-9/h11H,4,6H2,1-3H3,(H,10,12).
What are the key properties of N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide?
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 169.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62835754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).