3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide

C11H20N2O — CID 114417192

IUPAC3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide
SMILESC#CC(C)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H20N2O/c1-7-8(2)13-9(14)10(3,4)11(5,6)12/h1,8H,12H2,2-6H3,(H,13,14)
InChIKeyTUNPCKUOHQBHJE-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.89
Rot. Bonds3

About 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide

3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide (PubChem CID 114417192) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide
PubChem CID114417192
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide
SMILESC#CC(C)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H20N2O/c1-7-8(2)13-9(14)10(3,4)11(5,6)12/h1,8H,12H2,2-6H3,(H,13,14)
InChIKeyTUNPCKUOHQBHJE-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(but-3-yn-1-yl)-3,3-dimethylbutanamide
CID 56765708
3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 105937543
3-amino-3-methyl-N-propan-2-ylbutanamide
CID 64685706
N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide
CID 115597362
3-(tert-butylamino)-N-(3,3-dimethylbutyl)propanamide
CID 116369561
N-(3-amino-2,2-dimethylpropyl)pent-4-ynamide
CID 117894445
2-methyl-3-(pent-4-ynylamino)-N-propylbutanamide
CID 123839552
N-[3-(tert-butylamino)propyl]-3,3-dimethylbutanamide
CID 124101407
3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide
CID 134175320
2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide
CID 138690142
N-[3-(tert-butylamino)-3-oxopropyl]-3,3-dimethylbutanamide
CID 141672886
N-[3-(tert-butylamino)-3-oxopropyl]-2,2,3,3-tetramethylbutanamide
CID 155161280

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide (CID 114417192) is 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide is C#CC(C)NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide?
The InChIKey is TUNPCKUOHQBHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7-8(2)13-9(14)10(3,4)11(5,6)12/h1,8H,12H2,2-6H3,(H,13,14).
What are the key properties of 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide?
3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide is sourced from PubChem (CID 114417192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).