N,N-dimethylmethanamine;2-methylidenebutanamide

C8H18N2O — CID 87072562

IUPACN,N-dimethylmethanamine;2-methylidenebutanamide
SMILESC=C(CC)C(N)=O.CN(C)C
InChIInChI=1S/C5H9NO.C3H9N/c1-3-4(2)5(6)7;1-4(2)3/h2-3H2,1H3,(H2,6,7);1-3H3
InChIKeyDKGRBBLAWGWSDS-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.62
Rot. Bonds2

About N,N-dimethylmethanamine;2-methylidenebutanamide

N,N-dimethylmethanamine;2-methylidenebutanamide (PubChem CID 87072562) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-methylidenebutanamide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-methylidenebutanamide
PubChem CID87072562
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN,N-dimethylmethanamine;2-methylidenebutanamide
SMILESC=C(CC)C(N)=O.CN(C)C
InChIInChI=1S/C5H9NO.C3H9N/c1-3-4(2)5(6)7;1-4(2)3/h2-3H2,1H3,(H2,6,7);1-3H3
InChIKeyDKGRBBLAWGWSDS-UHFFFAOYSA-N
XLogP0.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethylmethanamine;2-methylidenebutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylidenebutanamide;trimethylazanium;bromide
CID 87506814
2-methylidenebutanamide;prop-2-en-1-amine;hydrochloride
CID 175534488
methyl hydrogen sulfate;2-methylidenebutanamide
CID 90258655
hexadecanoic acid;2-methylidenebutanamide
CID 175059010
2-methylidenebutanoic acid;2-methylprop-2-enamide
CID 88685460
4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
CID 87438764
N-hydroxy-N-methyl-2-methylidenebutanamide
CID 22624762
2-(aminomethyl)prop-2-enamide
CID 19089601
5-(dimethylamino)-2-methylidenepentanamide
CID 18359659
bis(N,N-dimethylmethanamine);bis(2-methylidenebutanoic acid);2-methylidenepentanoic acid;hydrochloride
CID 173194624
16-(dimethylamino)-2-methylidenehexadecanamide
CID 23169563
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-methylidenebutanamide?
The IUPAC name of N,N-dimethylmethanamine;2-methylidenebutanamide (CID 87072562) is N,N-dimethylmethanamine;2-methylidenebutanamide.
What is the SMILES notation for N,N-dimethylmethanamine;2-methylidenebutanamide?
The canonical SMILES for N,N-dimethylmethanamine;2-methylidenebutanamide is C=C(CC)C(N)=O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;2-methylidenebutanamide?
The InChIKey is DKGRBBLAWGWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H9N/c1-3-4(2)5(6)7;1-4(2)3/h2-3H2,1H3,(H2,6,7);1-3H3.
What are the key properties of N,N-dimethylmethanamine;2-methylidenebutanamide?
N,N-dimethylmethanamine;2-methylidenebutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-methylidenebutanamide is sourced from PubChem (CID 87072562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).