3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide

C11H21N3O — CID 65266802

IUPAC3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide
SMILESCC(C#N)CNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H21N3O/c1-8(6-12)7-14-9(15)10(2,3)11(4,5)13/h8H,7,13H2,1-5H3,(H,14,15)
InChIKeyLDLWPPBEGLJRBG-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.03
Rot. Bonds4

About 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide

3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide (PubChem CID 65266802) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide
PubChem CID65266802
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide
SMILESCC(C#N)CNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H21N3O/c1-8(6-12)7-14-9(15)10(2,3)11(4,5)13/h8H,7,13H2,1-5H3,(H,14,15)
InChIKeyLDLWPPBEGLJRBG-UHFFFAOYSA-N
XLogP1.03
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
CID 66170383
(2R)-2-amino-N-(2-cyanopropyl)propanamide
CID 78991396
3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile
CID 130588939
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
CID 106108926
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
3-(2-cyanopropylamino)-2-methyl-3-oxopropanoic acid
CID 114898360
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
1-butyl-3-(2-cyanopropyl)urea
CID 62653117

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide (CID 65266802) is 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide is CC(C#N)CNC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide?
The InChIKey is LDLWPPBEGLJRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(6-12)7-14-9(15)10(2,3)11(4,5)13/h8H,7,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide has a molecular weight of 211.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65266802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).