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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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).