2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide

C11H20N2O — CID 116644023

IUPAC2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
SMILESCC#CCCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-5-6-7-8-13-10(14)9(12)11(2,3)4/h9H,7-8,12H2,1-4H3,(H,13,14)
InChIKeyFJDZTZBLYBPKCI-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide

2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide (PubChem CID 116644023) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
PubChem CID116644023
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
SMILESCC#CCCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-5-6-7-8-13-10(14)9(12)11(2,3)4/h9H,7-8,12H2,1-4H3,(H,13,14)
InChIKeyFJDZTZBLYBPKCI-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
CID 106213078
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide (CID 116644023) is 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide is CC#CCCNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide?
The InChIKey is FJDZTZBLYBPKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-7-8-13-10(14)9(12)11(2,3)4/h9H,7-8,12H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide?
2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide 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 2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide is sourced from PubChem (CID 116644023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).