(2S)-N'-ethenyl-2-(ethylamino)butanimidamide

C8H17N3 — CID 88885474

IUPAC(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
SMILESC=C/N=C(\N)[C@H](CC)NCC
InChIInChI=1S/C8H17N3/c1-4-7(10-5-2)8(9)11-6-3/h6-7,10H,3-5H2,1-2H3,(H2,9,11)/t7-/m0/s1
InChIKeyFWFZXNPOEUVRNY-ZETCQYMHSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds5

About (2S)-N'-ethenyl-2-(ethylamino)butanimidamide

(2S)-N'-ethenyl-2-(ethylamino)butanimidamide (PubChem CID 88885474) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S)-N'-ethenyl-2-(ethylamino)butanimidamide.

Molecular Properties

Compound Name(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
PubChem CID88885474
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
SMILESC=C/N=C(\N)[C@H](CC)NCC
InChIInChI=1S/C8H17N3/c1-4-7(10-5-2)8(9)11-6-3/h6-7,10H,3-5H2,1-2H3,(H2,9,11)/t7-/m0/s1
InChIKeyFWFZXNPOEUVRNY-ZETCQYMHSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
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 (2S)-N'-ethenyl-2-(ethylamino)butanimidamide?
The IUPAC name of (2S)-N'-ethenyl-2-(ethylamino)butanimidamide (CID 88885474) is (2S)-N'-ethenyl-2-(ethylamino)butanimidamide.
What is the SMILES notation for (2S)-N'-ethenyl-2-(ethylamino)butanimidamide?
The canonical SMILES for (2S)-N'-ethenyl-2-(ethylamino)butanimidamide is C=C/N=C(\N)[C@H](CC)NCC.
What is the InChIKey of (2S)-N'-ethenyl-2-(ethylamino)butanimidamide?
The InChIKey is FWFZXNPOEUVRNY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-7(10-5-2)8(9)11-6-3/h6-7,10H,3-5H2,1-2H3,(H2,9,11)/t7-/m0/s1.
What are the key properties of (2S)-N'-ethenyl-2-(ethylamino)butanimidamide?
(2S)-N'-ethenyl-2-(ethylamino)butanimidamide has a molecular weight of 155.24 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-ethenyl-2-(ethylamino)butanimidamide is sourced from PubChem (CID 88885474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).