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

C8H17N3 — CID 90452846

IUPAC(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
SMILESCCN(C)C(/C=C(/C)N)=N\C
InChIInChI=1S/C8H17N3/c1-5-11(4)8(10-3)6-7(2)9/h6H,5,9H2,1-4H3/b7-6-,10-8-
InChIKeyNTWROZAUWOCGFG-INZNQPOWSA-N
MW155.24 g/mol
LogP0.83
Rot. Bonds2

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

(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide (PubChem CID 90452846) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
PubChem CID90452846
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
SMILESCCN(C)C(/C=C(/C)N)=N\C
InChIInChI=1S/C8H17N3/c1-5-11(4)8(10-3)6-7(2)9/h6H,5,9H2,1-4H3/b7-6-,10-8-
InChIKeyNTWROZAUWOCGFG-INZNQPOWSA-N
XLogP0.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
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-ethyl-N,N'-dimethylbut-2-enimidamide?
The IUPAC name of (Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide (CID 90452846) is (Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide is CCN(C)C(/C=C(/C)N)=N\C.
What is the InChIKey of (Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide?
The InChIKey is NTWROZAUWOCGFG-INZNQPOWSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-11(4)8(10-3)6-7(2)9/h6H,5,9H2,1-4H3/b7-6-,10-8-.
What are the key properties of (Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide?
(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide has a molecular weight of 155.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide is sourced from PubChem (CID 90452846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).