N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide

C6H13N3 — CID 163596358

IUPACN'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide
SMILESC/C(N)=C(C)/N=C(\C)N
InChIInChI=1S/C6H13N3/c1-4(7)5(2)9-6(3)8/h7H2,1-3H3,(H2,8,9)/b5-4-
InChIKeyGTTUCXDLSWWKOH-PLNGDYQASA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds1

About N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide

N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide (PubChem CID 163596358) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide
PubChem CID163596358
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide
SMILESC/C(N)=C(C)/N=C(\C)N
InChIInChI=1S/C6H13N3/c1-4(7)5(2)9-6(3)8/h7H2,1-3H3,(H2,8,9)/b5-4-
InChIKeyGTTUCXDLSWWKOH-PLNGDYQASA-N
XLogP0.57
TPSA64.40 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 ≤ 50.57
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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Related Compounds

N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide
CID 134890750
2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium
CID 58291751
N'-[(Z)-but-2-en-2-yl]ethanimidamide
CID 89771603
N'-prop-1-en-2-ylethanimidamide
CID 91563328
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 123584294
N'-but-2-en-2-ylethanimidamide
CID 123628782
N'-prop-1-en-2-ylpropanimidamide
CID 132181307
(E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide
CID 137148896
ethane;N'-prop-1-en-2-ylethanimidamide
CID 142348517
N'-[(E)-but-2-en-2-yl]propanimidamide
CID 155397026
N'-[(E)-but-2-en-2-yl]ethanimidamide
CID 155463916

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide?
The IUPAC name of N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide (CID 163596358) is N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide?
The canonical SMILES for N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide is C/C(N)=C(C)/N=C(\C)N.
What is the InChIKey of N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide?
The InChIKey is GTTUCXDLSWWKOH-PLNGDYQASA-N. The full InChI is InChI=1S/C6H13N3/c1-4(7)5(2)9-6(3)8/h7H2,1-3H3,(H2,8,9)/b5-4-.
What are the key properties of N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide?
N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 163596358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).