2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide

C9H17N3O — CID 115432428

IUPAC2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NCC#N
InChIInChI=1S/C9H17N3O/c1-3-9(4-2,7-11)8(13)12-6-5-10/h3-4,6-7,11H2,1-2H3,(H,12,13)
InChIKeyVBKZOHPZMXKSHR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.39
Rot. Bonds5

About 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide

2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide (PubChem CID 115432428) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
PubChem CID115432428
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NCC#N
InChIInChI=1S/C9H17N3O/c1-3-9(4-2,7-11)8(13)12-6-5-10/h3-4,6-7,11H2,1-2H3,(H,12,13)
InChIKeyVBKZOHPZMXKSHR-UHFFFAOYSA-N
XLogP0.39
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.39
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-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
CID 115432472
2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate
CID 115431856
2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide
CID 112703701
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide
CID 65043672
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide
CID 115760355
2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
CID 114169342
2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
CID 103840339
2-(aminomethyl)-2-ethyl-N-[2-(ethylsulfamoyl)ethyl]butanamide
CID 103840332

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide (CID 115432428) is 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)NCC#N.
What is the InChIKey of 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide?
The InChIKey is VBKZOHPZMXKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-9(4-2,7-11)8(13)12-6-5-10/h3-4,6-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide has a molecular weight of 183.25 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide is sourced from PubChem (CID 115432428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).