(E)-3-(dimethylamino)but-2-enimidamide

C6H13N3 — CID 143341120

IUPAC(E)-3-(dimethylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C=C(\C)N(C)C
InChIInChI=1S/C6H13N3/c1-5(9(2)3)4-6(7)8/h4H,1-3H3,(H3,7,8)/b5-4+
InChIKeyHEPFTRRISJMXRK-SNAWJCMRSA-N
MW127.19 g/mol
LogP0.39
Rot. Bonds2

About (E)-3-(dimethylamino)but-2-enimidamide

(E)-3-(dimethylamino)but-2-enimidamide (PubChem CID 143341120) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-3-(dimethylamino)but-2-enimidamide.

Molecular Properties

Compound Name(E)-3-(dimethylamino)but-2-enimidamide
PubChem CID143341120
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(E)-3-(dimethylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C=C(\C)N(C)C
InChIInChI=1S/C6H13N3/c1-5(9(2)3)4-6(7)8/h4H,1-3H3,(H3,7,8)/b5-4+
InChIKeyHEPFTRRISJMXRK-SNAWJCMRSA-N
XLogP0.39
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.39
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

(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193
(2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide
CID 163248548
(Z)-3-cyclopentyl-3-hydroxyprop-2-enimidamide
CID 143865489
(Z)-3-(butylamino)but-2-enimidamide
CID 146481635
(Z)-3-(2-fluoropropylamino)but-2-enimidamide
CID 146481550
cobalt;ethanimidamide
CID 162055614
pent-2-enimidamide
CID 74821450
3-aminobut-2-enimidoyl fluoride
CID 149013787
[(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium
CID 177318048
ethanimidamide;guanidine
CID 160661984
ethanimidamide;hydrate;hydrochloride
CID 160733537
4-tert-butylbenzenethiol;(Z)-3-hydroxybut-2-enimidamide;dihydrate
CID 142871912

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)but-2-enimidamide?
The IUPAC name of (E)-3-(dimethylamino)but-2-enimidamide (CID 143341120) is (E)-3-(dimethylamino)but-2-enimidamide.
What is the SMILES notation for (E)-3-(dimethylamino)but-2-enimidamide?
The canonical SMILES for (E)-3-(dimethylamino)but-2-enimidamide is [H]/N=C(N)/C=C(\C)N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)but-2-enimidamide?
The InChIKey is HEPFTRRISJMXRK-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(9(2)3)4-6(7)8/h4H,1-3H3,(H3,7,8)/b5-4+.
What are the key properties of (E)-3-(dimethylamino)but-2-enimidamide?
(E)-3-(dimethylamino)but-2-enimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)but-2-enimidamide is sourced from PubChem (CID 143341120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).