[(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium

C7H17N4+ — CID 144534926

IUPAC[(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium
SMILESCCN/C(C)=C(N)/C(N)=[NH+]/C
InChIInChI=1S/C7H16N4/c1-4-11-5(2)6(8)7(9)10-3/h11H,4,8H2,1-3H3,(H2,9,10)/p+1/b6-5-
InChIKeyRLYLYPAQFPGFGM-WAYWQWQTSA-O
MW157.24 g/mol
LogP-2.15
Rot. Bonds3

About [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium

[(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium (PubChem CID 144534926) has the molecular formula C7H17N4+ and a molecular weight of 157.24 g/mol. Its IUPAC name is [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium.

Molecular Properties

Compound Name[(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium
PubChem CID144534926
Molecular FormulaC7H17N4+
Molecular Weight157.24 g/mol
Exact Mass157.14
IUPAC Name[(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium
SMILESCCN/C(C)=C(N)/C(N)=[NH+]/C
InChIInChI=1S/C7H16N4/c1-4-11-5(2)6(8)7(9)10-3/h11H,4,8H2,1-3H3,(H2,9,10)/p+1/b6-5-
InChIKeyRLYLYPAQFPGFGM-WAYWQWQTSA-O
XLogP-2.15
TPSA78.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium 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

N-ethyl-3-methylbut-2-en-2-amine
CID 143053447
ethylthiourea
CID 55288796
azane;ethylthiourea
CID 175294002
(Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one
CID 89193816
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
(E)-N-ethylbut-2-en-2-amine
CID 18734703
carbamothioic S-acid;ethylcarbamothioic S-acid;trihydrate
CID 173162931
2-(aminomethyl)-1-ethylguanidine
CID 123525556
1-(carbamoylamino)-3-ethylurea
CID 55206816
3-[amino(ethylamino)methylidene]azaniumylpropane-1-thiolate
CID 11816023
ethylthiourea;rhenium;trihexafluorophosphate
CID 11073243

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium?
The IUPAC name of [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium (CID 144534926) is [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium.
What is the SMILES notation for [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium?
The canonical SMILES for [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium is CCN/C(C)=C(N)/C(N)=[NH+]/C.
What is the InChIKey of [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium?
The InChIKey is RLYLYPAQFPGFGM-WAYWQWQTSA-O. The full InChI is InChI=1S/C7H16N4/c1-4-11-5(2)6(8)7(9)10-3/h11H,4,8H2,1-3H3,(H2,9,10)/p+1/b6-5-.
What are the key properties of [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium?
[(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium has a molecular weight of 157.24 g/mol, XLogP of -2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium is sourced from PubChem (CID 144534926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).