N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide

C11H22N2O — CID 3018570

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)10(14)12-7-11(3,4)8-13(5)6/h1,7-8H2,2-6H3,(H,12,14)
InChIKeyBYXHXBCFNMHZGY-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.27
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide (PubChem CID 3018570) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
PubChem CID3018570
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)10(14)12-7-11(3,4)8-13(5)6/h1,7-8H2,2-6H3,(H,12,14)
InChIKeyBYXHXBCFNMHZGY-UHFFFAOYSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991892
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
N-(2,2-dimethylhexyl)-2-methylprop-2-enamide
CID 129167634
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812631
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpropanamide;dihydrochloride
CID 119828440
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
CID 104624160
N-[2-(tert-butylamino)-3-(2-methylprop-2-enoylamino)-2-[(2-methylprop-2-enoylamino)methyl]propyl]-2-methylprop-2-enamide
CID 58422255
N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 159640819
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-2-methylpropanamide
CID 62832837
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide (CID 3018570) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide?
The InChIKey is BYXHXBCFNMHZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)10(14)12-7-11(3,4)8-13(5)6/h1,7-8H2,2-6H3,(H,12,14).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide is sourced from PubChem (CID 3018570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).