(Z)-3-amino-N,N'-dimethylbut-2-enimidamide

C6H13N3 — CID 90453942

IUPAC(Z)-3-amino-N,N'-dimethylbut-2-enimidamide
SMILESC/N=C(/C=C(/C)N)NC
InChIInChI=1S/C6H13N3/c1-5(7)4-6(8-2)9-3/h4H,7H2,1-3H3,(H,8,9)/b5-4-
InChIKeyWPPZPPKJAGXKFW-PLNGDYQASA-N
MW127.19 g/mol
LogP0.10
Rot. Bonds1

About (Z)-3-amino-N,N'-dimethylbut-2-enimidamide

(Z)-3-amino-N,N'-dimethylbut-2-enimidamide (PubChem CID 90453942) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-3-amino-N,N'-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N,N'-dimethylbut-2-enimidamide
PubChem CID90453942
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(Z)-3-amino-N,N'-dimethylbut-2-enimidamide
SMILESC/N=C(/C=C(/C)N)NC
InChIInChI=1S/C6H13N3/c1-5(7)4-6(8-2)9-3/h4H,7H2,1-3H3,(H,8,9)/b5-4-
InChIKeyWPPZPPKJAGXKFW-PLNGDYQASA-N
XLogP0.10
TPSA50.41 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 ≤ 50.10
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 (Z)-3-amino-N,N'-dimethylbut-2-enimidamide?
The IUPAC name of (Z)-3-amino-N,N'-dimethylbut-2-enimidamide (CID 90453942) is (Z)-3-amino-N,N'-dimethylbut-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N,N'-dimethylbut-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N,N'-dimethylbut-2-enimidamide is C/N=C(/C=C(/C)N)NC.
What is the InChIKey of (Z)-3-amino-N,N'-dimethylbut-2-enimidamide?
The InChIKey is WPPZPPKJAGXKFW-PLNGDYQASA-N. The full InChI is InChI=1S/C6H13N3/c1-5(7)4-6(8-2)9-3/h4H,7H2,1-3H3,(H,8,9)/b5-4-.
What are the key properties of (Z)-3-amino-N,N'-dimethylbut-2-enimidamide?
(Z)-3-amino-N,N'-dimethylbut-2-enimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N,N'-dimethylbut-2-enimidamide is sourced from PubChem (CID 90453942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).