4-(dimethylamino)-2-methylidenebutanamide;hydrochloride

C7H15ClN2O — CID 87438764

IUPAC4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
SMILESC=C(CCN(C)C)C(N)=O.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(7(8)10)4-5-9(2)3;/h1,4-5H2,2-3H3,(H2,8,10);1H
InChIKeyAAUXNZHSWFXDNH-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.40
Rot. Bonds4

About 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride

4-(dimethylamino)-2-methylidenebutanamide;hydrochloride (PubChem CID 87438764) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
PubChem CID87438764
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
SMILESC=C(CCN(C)C)C(N)=O.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(7(8)10)4-5-9(2)3;/h1,4-5H2,2-3H3,(H2,8,10);1H
InChIKeyAAUXNZHSWFXDNH-UHFFFAOYSA-N
XLogP0.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.40
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

5-(dimethylamino)-2-methylidenepentanamide
CID 18359659
16-(dimethylamino)-2-methylidenehexadecanamide
CID 23169563
4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
CID 87206674
N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide
CID 173350246
1-N,1-N-dimethylbut-3-ene-1,3-diamine
CID 143041369
prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate
CID 87182832
2-chloropropane;4-(dimethylamino)-2-methylidenebutanoic acid
CID 87787659
N,N-dimethylmethanamine;2-methylidenebutanamide
CID 87072562
6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide
CID 173096321
2,13-dimethylidenetetradecanediamide
CID 87303548
2,9-dimethylidenedecanediamide
CID 22052797
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride (CID 87438764) is 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride is C=C(CCN(C)C)C(N)=O.Cl.
What is the InChIKey of 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride?
The InChIKey is AAUXNZHSWFXDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-6(7(8)10)4-5-9(2)3;/h1,4-5H2,2-3H3,(H2,8,10);1H.
What are the key properties of 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride?
4-(dimethylamino)-2-methylidenebutanamide;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylidenebutanamide;hydrochloride is sourced from PubChem (CID 87438764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).