N,N,3-trimethyl-2-methylidenebutanamide

C8H15NO — CID 57080569

IUPACN,N,3-trimethyl-2-methylidenebutanamide
SMILESC=C(C(=O)N(C)C)C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)7(3)8(10)9(4)5/h6H,3H2,1-2,4-5H3
InChIKeyWZHOBTULYWCONC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds2

About N,N,3-trimethyl-2-methylidenebutanamide

N,N,3-trimethyl-2-methylidenebutanamide (PubChem CID 57080569) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N,N,3-trimethyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-2-methylidenebutanamide
PubChem CID57080569
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN,N,3-trimethyl-2-methylidenebutanamide
SMILESC=C(C(=O)N(C)C)C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)7(3)8(10)9(4)5/h6H,3H2,1-2,4-5H3
InChIKeyWZHOBTULYWCONC-UHFFFAOYSA-N
XLogP1.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-2-methylidenebutanamide
CID 87194380
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
CID 58987178
CID 58987178
N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide
CID 89172089
cyclodecane;3-methyl-2-methylidenebutanoic acid
CID 67190499
methyl 3-methyl-2-methylidenebutanoate
CID 534902
2-(iodomethyl)-N,N-dimethylprop-2-enamide
CID 11843066
N,N,4-trimethyl-2,3-dimethylidenepentan-1-amine
CID 166698582
2,5-dimethylhexane-3,4-dione;bis(N,3-dimethyl-2-oxo-N-propan-2-ylbutanamide);methane
CID 162215175
N,N,2,4-tetramethyl-3-methylidenepent-1-en-1-amine
CID 123516073
2-[1-hydroxyethenyl(propan-2-yl)amino]-2-oxoacetic acid
CID 122548968
tris((Z)-1-(dimethylamino)-5-methyl-1,4-dioxohex-2-en-2-olate);iron(3+)
CID 71474271

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-methylidenebutanamide?
The IUPAC name of N,N,3-trimethyl-2-methylidenebutanamide (CID 57080569) is N,N,3-trimethyl-2-methylidenebutanamide.
What is the SMILES notation for N,N,3-trimethyl-2-methylidenebutanamide?
The canonical SMILES for N,N,3-trimethyl-2-methylidenebutanamide is C=C(C(=O)N(C)C)C(C)C.
What is the InChIKey of N,N,3-trimethyl-2-methylidenebutanamide?
The InChIKey is WZHOBTULYWCONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7(3)8(10)9(4)5/h6H,3H2,1-2,4-5H3.
What are the key properties of N,N,3-trimethyl-2-methylidenebutanamide?
N,N,3-trimethyl-2-methylidenebutanamide has a molecular weight of 141.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-methylidenebutanamide is sourced from PubChem (CID 57080569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).