2-amino-N-(2-cyanopropyl)-2-methylbutanamide

C9H17N3O — CID 79811894

IUPAC2-amino-N-(2-cyanopropyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(C)C#N
InChIInChI=1S/C9H17N3O/c1-4-9(3,11)8(13)12-6-7(2)5-10/h7H,4,6,11H2,1-3H3,(H,12,13)
InChIKeyWYQUGPFIRDDHIV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.39
Rot. Bonds4

About 2-amino-N-(2-cyanopropyl)-2-methylbutanamide

2-amino-N-(2-cyanopropyl)-2-methylbutanamide (PubChem CID 79811894) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-N-(2-cyanopropyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanopropyl)-2-methylbutanamide
PubChem CID79811894
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-N-(2-cyanopropyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(C)C#N
InChIInChI=1S/C9H17N3O/c1-4-9(3,11)8(13)12-6-7(2)5-10/h7H,4,6,11H2,1-3H3,(H,12,13)
InChIKeyWYQUGPFIRDDHIV-UHFFFAOYSA-N
XLogP0.39
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide
CID 65266802
2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79811579
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide
CID 79805016
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
(2R)-2-amino-N-(2-cyanopropyl)propanamide
CID 78991396
(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130
2-amino-N-(2,2-dimethylpropyl)-2-methylbutanamide
CID 79805965
3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile
CID 130588939
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
2-amino-N-(2-hydroxy-2-methylbutyl)-2-methylbutanamide
CID 79811592

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanopropyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-cyanopropyl)-2-methylbutanamide (CID 79811894) is 2-amino-N-(2-cyanopropyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-cyanopropyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-cyanopropyl)-2-methylbutanamide is CCC(C)(N)C(=O)NCC(C)C#N.
What is the InChIKey of 2-amino-N-(2-cyanopropyl)-2-methylbutanamide?
The InChIKey is WYQUGPFIRDDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-9(3,11)8(13)12-6-7(2)5-10/h7H,4,6,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-(2-cyanopropyl)-2-methylbutanamide?
2-amino-N-(2-cyanopropyl)-2-methylbutanamide has a molecular weight of 183.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanopropyl)-2-methylbutanamide is sourced from PubChem (CID 79811894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).