2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide

C11H21N3O — CID 103925507

IUPAC2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide
SMILESCC(C)C(NCCC(C)(C)C#N)C(N)=O
InChIInChI=1S/C11H21N3O/c1-8(2)9(10(13)15)14-6-5-11(3,4)7-12/h8-9,14H,5-6H2,1-4H3,(H2,13,15)
InChIKeyYSGAAYIVIKEGLQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.03
Rot. Bonds6

About 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide

2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide (PubChem CID 103925507) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide
PubChem CID103925507
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide
SMILESCC(C)C(NCCC(C)(C)C#N)C(N)=O
InChIInChI=1S/C11H21N3O/c1-8(2)9(10(13)15)14-6-5-11(3,4)7-12/h8-9,14H,5-6H2,1-4H3,(H2,13,15)
InChIKeyYSGAAYIVIKEGLQ-UHFFFAOYSA-N
XLogP1.03
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
3-methyl-2-(pentylamino)butanamide
CID 103914102
(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
CID 171647987
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
methyl 2-[(3-cyano-3-methylbutyl)amino]-2-phenylacetate
CID 65248418
methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate
CID 79360906
2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
CID 103914269
2-[(4-cyano-4-methylpentyl)amino]acetamide
CID 65256262
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
CID 106345053
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
6-[(3-cyano-3-methylbutyl)amino]-4-methylhexanoic acid
CID 65287350

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide (CID 103925507) is 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide is CC(C)C(NCCC(C)(C)C#N)C(N)=O.
What is the InChIKey of 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide?
The InChIKey is YSGAAYIVIKEGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)9(10(13)15)14-6-5-11(3,4)7-12/h8-9,14H,5-6H2,1-4H3,(H2,13,15).
What are the key properties of 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide?
2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide has a molecular weight of 211.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide is sourced from PubChem (CID 103925507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).