N-(cyanomethyl)-4-(methylamino)butanamide

C7H13N3O — CID 61254467

IUPACN-(cyanomethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC#N
InChIInChI=1S/C7H13N3O/c1-9-5-2-3-7(11)10-6-4-8/h9H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyKCUAMYUFERNTHX-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.37
Rot. Bonds5

About N-(cyanomethyl)-4-(methylamino)butanamide

N-(cyanomethyl)-4-(methylamino)butanamide (PubChem CID 61254467) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(cyanomethyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-(methylamino)butanamide
PubChem CID61254467
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-(cyanomethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC#N
InChIInChI=1S/C7H13N3O/c1-9-5-2-3-7(11)10-6-4-8/h9H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyKCUAMYUFERNTHX-UHFFFAOYSA-N
XLogP-0.37
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)pentanamide;hydrochloride
CID 141008965
N-(cyanomethyl)-4-methoxybutanamide
CID 78989538
N-(cyanomethyl)decanamide
CID 62399737
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
7-amino-N-(cyanomethyl)heptanamide
CID 61254077
4-(cyanomethylamino)-4-oxobutanoic acid
CID 23023570
4-bromobutanoic acid;4-bromo-N-(cyanomethyl)butanamide
CID 87406570
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide
CID 60843110
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-(methylamino)butanamide?
The IUPAC name of N-(cyanomethyl)-4-(methylamino)butanamide (CID 61254467) is N-(cyanomethyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(cyanomethyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(cyanomethyl)-4-(methylamino)butanamide is CNCCCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-4-(methylamino)butanamide?
The InChIKey is KCUAMYUFERNTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-9-5-2-3-7(11)10-6-4-8/h9H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of N-(cyanomethyl)-4-(methylamino)butanamide?
N-(cyanomethyl)-4-(methylamino)butanamide has a molecular weight of 155.20 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-(methylamino)butanamide is sourced from PubChem (CID 61254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).