(4-amino-2-methylidenebutanoyl)-methanidylazanium

C6H12N2O — CID 58668144

IUPAC(4-amino-2-methylidenebutanoyl)-methanidylazanium
SMILESC=C(CCN)C(=O)[NH2+][CH2-]
InChIInChI=1S/C6H12N2O/c1-5(3-4-7)6(9)8-2/h1-4,7-8H2
InChIKeyRLLMTILTSQASOP-UHFFFAOYSA-N
MW128.17 g/mol
LogP-1.23
Rot. Bonds3

About (4-amino-2-methylidenebutanoyl)-methanidylazanium

(4-amino-2-methylidenebutanoyl)-methanidylazanium (PubChem CID 58668144) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (4-amino-2-methylidenebutanoyl)-methanidylazanium.

Molecular Properties

Compound Name(4-amino-2-methylidenebutanoyl)-methanidylazanium
PubChem CID58668144
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(4-amino-2-methylidenebutanoyl)-methanidylazanium
SMILESC=C(CCN)C(=O)[NH2+][CH2-]
InChIInChI=1S/C6H12N2O/c1-5(3-4-7)6(9)8-2/h1-4,7-8H2
InChIKeyRLLMTILTSQASOP-UHFFFAOYSA-N
XLogP-1.23
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylidenepyrrolidin-2-one
CID 10909493
N,N'-dimethyl-2-methylidenebutanediamide
CID 20342708
n,n'-Diethylacrylamide
CID 21584923
(Dimethylaminoethyl)-acrylamide
CID 21863837
Aminoethylacrylamide
CID 22065728
(2E)-2-(fluoromethylidene)-N-methylbutanamide
CID 90023144
2-(fluoromethylidene)-N-methylbutanamide
CID 140678669
Butaneamide, N,3-dimethyl-2-methylene-
CID 534823
4-Carbamoyl-3h-pyrrol-2-one
CID 84074177
2-Methylidene-4-(2,2,2-trifluoroethylamino)butanamide
CID 170589194
N-methyl-2-methylidenebutanamide
CID 12587301
2-methylidene-N-prop-2-enylbutanediamide
CID 18784432

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylidenebutanoyl)-methanidylazanium?
The IUPAC name of (4-amino-2-methylidenebutanoyl)-methanidylazanium (CID 58668144) is (4-amino-2-methylidenebutanoyl)-methanidylazanium.
What is the SMILES notation for (4-amino-2-methylidenebutanoyl)-methanidylazanium?
The canonical SMILES for (4-amino-2-methylidenebutanoyl)-methanidylazanium is C=C(CCN)C(=O)[NH2+][CH2-].
What is the InChIKey of (4-amino-2-methylidenebutanoyl)-methanidylazanium?
The InChIKey is RLLMTILTSQASOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(3-4-7)6(9)8-2/h1-4,7-8H2.
What are the key properties of (4-amino-2-methylidenebutanoyl)-methanidylazanium?
(4-amino-2-methylidenebutanoyl)-methanidylazanium has a molecular weight of 128.17 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylidenebutanoyl)-methanidylazanium is sourced from PubChem (CID 58668144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).