3-amino-N',2-dimethylbut-2-enimidamide

C6H13N3 — CID 147517361

IUPAC3-amino-N',2-dimethylbut-2-enimidamide
SMILESC/N=C(\N)C(C)=C(C)N
InChIInChI=1S/C6H13N3/c1-4(5(2)7)6(8)9-3/h7H2,1-3H3,(H2,8,9)
InChIKeyGNHBOGNNDXMCCI-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.23
Rot. Bonds1

About 3-amino-N',2-dimethylbut-2-enimidamide

3-amino-N',2-dimethylbut-2-enimidamide (PubChem CID 147517361) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-amino-N',2-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name3-amino-N',2-dimethylbut-2-enimidamide
PubChem CID147517361
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-amino-N',2-dimethylbut-2-enimidamide
SMILESC/N=C(\N)C(C)=C(C)N
InChIInChI=1S/C6H13N3/c1-4(5(2)7)6(8)9-3/h7H2,1-3H3,(H2,8,9)
InChIKeyGNHBOGNNDXMCCI-UHFFFAOYSA-N
XLogP0.23
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.23
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-amino-N',2-dimethylbut-2-enimidamide?
The IUPAC name of 3-amino-N',2-dimethylbut-2-enimidamide (CID 147517361) is 3-amino-N',2-dimethylbut-2-enimidamide.
What is the SMILES notation for 3-amino-N',2-dimethylbut-2-enimidamide?
The canonical SMILES for 3-amino-N',2-dimethylbut-2-enimidamide is C/N=C(\N)C(C)=C(C)N.
What is the InChIKey of 3-amino-N',2-dimethylbut-2-enimidamide?
The InChIKey is GNHBOGNNDXMCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4(5(2)7)6(8)9-3/h7H2,1-3H3,(H2,8,9).
What are the key properties of 3-amino-N',2-dimethylbut-2-enimidamide?
3-amino-N',2-dimethylbut-2-enimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',2-dimethylbut-2-enimidamide is sourced from PubChem (CID 147517361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).