3-amino-N,N-dimethyl-2-methylidenebutanamide

C7H14N2O — CID 87194380

IUPAC3-amino-N,N-dimethyl-2-methylidenebutanamide
SMILESC=C(C(=O)N(C)C)C(C)N
InChIInChI=1S/C7H14N2O/c1-5(6(2)8)7(10)9(3)4/h6H,1,8H2,2-4H3
InChIKeyFDGJEQQKECJXIA-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.02
Rot. Bonds2

About 3-amino-N,N-dimethyl-2-methylidenebutanamide

3-amino-N,N-dimethyl-2-methylidenebutanamide (PubChem CID 87194380) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-2-methylidenebutanamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-2-methylidenebutanamide
PubChem CID87194380
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-amino-N,N-dimethyl-2-methylidenebutanamide
SMILESC=C(C(=O)N(C)C)C(C)N
InChIInChI=1S/C7H14N2O/c1-5(6(2)8)7(10)9(3)4/h6H,1,8H2,2-4H3
InChIKeyFDGJEQQKECJXIA-UHFFFAOYSA-N
XLogP-0.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.02
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-2-methylidenebutanamide?
The IUPAC name of 3-amino-N,N-dimethyl-2-methylidenebutanamide (CID 87194380) is 3-amino-N,N-dimethyl-2-methylidenebutanamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-2-methylidenebutanamide?
The canonical SMILES for 3-amino-N,N-dimethyl-2-methylidenebutanamide is C=C(C(=O)N(C)C)C(C)N.
What is the InChIKey of 3-amino-N,N-dimethyl-2-methylidenebutanamide?
The InChIKey is FDGJEQQKECJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(6(2)8)7(10)9(3)4/h6H,1,8H2,2-4H3.
What are the key properties of 3-amino-N,N-dimethyl-2-methylidenebutanamide?
3-amino-N,N-dimethyl-2-methylidenebutanamide has a molecular weight of 142.20 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-2-methylidenebutanamide is sourced from PubChem (CID 87194380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).