(2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide

C8H16N4 — CID 155227993

IUPAC(2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide
SMILESC=C/N=C(\C)[C@@H](N)/C(N)=N/CC
InChIInChI=1S/C8H16N4/c1-4-11-6(3)7(9)8(10)12-5-2/h4,7H,1,5,9H2,2-3H3,(H2,10,12)/b11-6+/t7-/m1/s1
InChIKeyPKCKENQNPVDVLP-PKTIUJEHSA-N
MW168.24 g/mol
LogP0.30
Rot. Bonds4

About (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide

(2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide (PubChem CID 155227993) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide.

Molecular Properties

Compound Name(2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide
PubChem CID155227993
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide
SMILESC=C/N=C(\C)[C@@H](N)/C(N)=N/CC
InChIInChI=1S/C8H16N4/c1-4-11-6(3)7(9)8(10)12-5-2/h4,7H,1,5,9H2,2-3H3,(H2,10,12)/b11-6+/t7-/m1/s1
InChIKeyPKCKENQNPVDVLP-PKTIUJEHSA-N
XLogP0.30
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
CID 88885474
(3Z)-N'-ethenyl-2-methyl-3-(propan-2-ylidenehydrazinylidene)butanimidamide
CID 90934415
3-amino-N'-ethenylbutanimidamide
CID 170029021

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide?
The IUPAC name of (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide (CID 155227993) is (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide.
What is the SMILES notation for (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide?
The canonical SMILES for (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide is C=C/N=C(\C)[C@@H](N)/C(N)=N/CC.
What is the InChIKey of (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide?
The InChIKey is PKCKENQNPVDVLP-PKTIUJEHSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-11-6(3)7(9)8(10)12-5-2/h4,7H,1,5,9H2,2-3H3,(H2,10,12)/b11-6+/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide?
(2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide has a molecular weight of 168.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-ethenylimino-N'-ethylbutanimidamide is sourced from PubChem (CID 155227993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).