2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide

C12H21N3O — CID 23595876

IUPAC2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)N(CC#N)C1CCC1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10(14)11(16)15(8-7-13)9-5-4-6-9/h9-10H,4-6,8,14H2,1-3H3
InChIKeyPDFBYBOTYUJNDT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.26
Rot. Bonds3

About 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide

2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide (PubChem CID 23595876) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
PubChem CID23595876
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)N(CC#N)C1CCC1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10(14)11(16)15(8-7-13)9-5-4-6-9/h9-10H,4-6,8,14H2,1-3H3
InChIKeyPDFBYBOTYUJNDT-UHFFFAOYSA-N
XLogP1.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide
CID 76894916
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442
(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
CID 103929366
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
N-(cyanomethyl)-N-cyclohexylprop-2-enamide
CID 102248410
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide (CID 23595876) is 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)N(CC#N)C1CCC1.
What is the InChIKey of 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide?
The InChIKey is PDFBYBOTYUJNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)10(14)11(16)15(8-7-13)9-5-4-6-9/h9-10H,4-6,8,14H2,1-3H3.
What are the key properties of 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide?
2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide has a molecular weight of 223.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide is sourced from PubChem (CID 23595876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).