N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide

C10H20N2O — CID 79653171

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C10H20N2O/c1-5-6-9(13)12(4)8-10(2,3)7-11/h5H,1,6-8,11H2,2-4H3
InChIKeyDJTIZCLUBQMVDX-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.01
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide

N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide (PubChem CID 79653171) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
PubChem CID79653171
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C10H20N2O/c1-5-6-9(13)12(4)8-10(2,3)7-11/h5H,1,6-8,11H2,2-4H3
InChIKeyDJTIZCLUBQMVDX-UHFFFAOYSA-N
XLogP1.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide (CID 79653171) is N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide is C=CCC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide?
The InChIKey is DJTIZCLUBQMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-6-9(13)12(4)8-10(2,3)7-11/h5H,1,6-8,11H2,2-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide?
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide is sourced from PubChem (CID 79653171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).