N,N-bis(methylamino)-2-methylidenebutanamide

C7H15N3O — CID 141246091

IUPACN,N-bis(methylamino)-2-methylidenebutanamide
SMILESC=C(CC)C(=O)N(NC)NC
InChIInChI=1S/C7H15N3O/c1-5-6(2)7(11)10(8-3)9-4/h8-9H,2,5H2,1,3-4H3
InChIKeyZSHDJLLYSXAKMD-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.05
Rot. Bonds4

About N,N-bis(methylamino)-2-methylidenebutanamide

N,N-bis(methylamino)-2-methylidenebutanamide (PubChem CID 141246091) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N,N-bis(methylamino)-2-methylidenebutanamide.

Molecular Properties

Compound NameN,N-bis(methylamino)-2-methylidenebutanamide
PubChem CID141246091
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN,N-bis(methylamino)-2-methylidenebutanamide
SMILESC=C(CC)C(=O)N(NC)NC
InChIInChI=1S/C7H15N3O/c1-5-6(2)7(11)10(8-3)9-4/h8-9H,2,5H2,1,3-4H3
InChIKeyZSHDJLLYSXAKMD-UHFFFAOYSA-N
XLogP0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride
CID 141246092
N-hydroxy-N-methyl-2-methylidenebutanamide
CID 22624762
chloromethane;methylamino 2-methylidenebutanoate
CID 159451589
propanoic acid;1,1,2-trimethylhydrazine
CID 90201241
hydron;methyl 2-methylidenebutanoate
CID 174760127
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
N,N-dimethylmethanamine;2-methylidenebutanamide
CID 87072562
potassium 2-methylidenebutanoate
CID 87611079
deuteriomethyl 2-methylidenebutanoate
CID 174392551
carbonic acid;2-methylidenebutanoic acid;hydrofluoride
CID 87502083
lithium;hydride;2-methylidenebutanoic acid
CID 174729708
N-ethenyl-2-methylidenebutanamide
CID 151420666

Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylamino)-2-methylidenebutanamide?
The IUPAC name of N,N-bis(methylamino)-2-methylidenebutanamide (CID 141246091) is N,N-bis(methylamino)-2-methylidenebutanamide.
What is the SMILES notation for N,N-bis(methylamino)-2-methylidenebutanamide?
The canonical SMILES for N,N-bis(methylamino)-2-methylidenebutanamide is C=C(CC)C(=O)N(NC)NC.
What is the InChIKey of N,N-bis(methylamino)-2-methylidenebutanamide?
The InChIKey is ZSHDJLLYSXAKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5-6(2)7(11)10(8-3)9-4/h8-9H,2,5H2,1,3-4H3.
What are the key properties of N,N-bis(methylamino)-2-methylidenebutanamide?
N,N-bis(methylamino)-2-methylidenebutanamide has a molecular weight of 157.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylamino)-2-methylidenebutanamide is sourced from PubChem (CID 141246091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).