3-(methylamino)-N-methylidenebut-2-enimidamide

C6H11N3 — CID 163762098

IUPAC3-(methylamino)-N-methylidenebut-2-enimidamide
SMILES[H]/N=C(/C=C(C)NC)N=C
InChIInChI=1S/C6H11N3/c1-5(8-2)4-6(7)9-3/h4,7-8H,3H2,1-2H3/b5-4?,7-6-
InChIKeyGITYGIVVWYEDHJ-HYMJRUIRSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds2

About 3-(methylamino)-N-methylidenebut-2-enimidamide

3-(methylamino)-N-methylidenebut-2-enimidamide (PubChem CID 163762098) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-(methylamino)-N-methylidenebut-2-enimidamide.

Molecular Properties

Compound Name3-(methylamino)-N-methylidenebut-2-enimidamide
PubChem CID163762098
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-(methylamino)-N-methylidenebut-2-enimidamide
SMILES[H]/N=C(/C=C(C)NC)N=C
InChIInChI=1S/C6H11N3/c1-5(8-2)4-6(7)9-3/h4,7-8H,3H2,1-2H3/b5-4?,7-6-
InChIKeyGITYGIVVWYEDHJ-HYMJRUIRSA-N
XLogP0.79
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-methylidenebut-2-enimidamide?
The IUPAC name of 3-(methylamino)-N-methylidenebut-2-enimidamide (CID 163762098) is 3-(methylamino)-N-methylidenebut-2-enimidamide.
What is the SMILES notation for 3-(methylamino)-N-methylidenebut-2-enimidamide?
The canonical SMILES for 3-(methylamino)-N-methylidenebut-2-enimidamide is [H]/N=C(/C=C(C)NC)N=C.
What is the InChIKey of 3-(methylamino)-N-methylidenebut-2-enimidamide?
The InChIKey is GITYGIVVWYEDHJ-HYMJRUIRSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(8-2)4-6(7)9-3/h4,7-8H,3H2,1-2H3/b5-4?,7-6-.
What are the key properties of 3-(methylamino)-N-methylidenebut-2-enimidamide?
3-(methylamino)-N-methylidenebut-2-enimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-methylidenebut-2-enimidamide is sourced from PubChem (CID 163762098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).