(Z)-3-(methylamino)but-2-enimidamide

C5H11N3 — CID 139436636

IUPAC(Z)-3-(methylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C=C(/C)NC
InChIInChI=1S/C5H11N3/c1-4(8-2)3-5(6)7/h3,8H,1-2H3,(H3,6,7)/b4-3-
InChIKeyNVRYXMFRHXRNRY-ARJAWSKDSA-N
MW113.16 g/mol
LogP0.05
Rot. Bonds2

About (Z)-3-(methylamino)but-2-enimidamide

(Z)-3-(methylamino)but-2-enimidamide (PubChem CID 139436636) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-3-(methylamino)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(methylamino)but-2-enimidamide
PubChem CID139436636
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(Z)-3-(methylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C=C(/C)NC
InChIInChI=1S/C5H11N3/c1-4(8-2)3-5(6)7/h3,8H,1-2H3,(H3,6,7)/b4-3-
InChIKeyNVRYXMFRHXRNRY-ARJAWSKDSA-N
XLogP0.05
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.05
H-Bond Donors ≤ 53
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 (Z)-3-(methylamino)but-2-enimidamide?
The IUPAC name of (Z)-3-(methylamino)but-2-enimidamide (CID 139436636) is (Z)-3-(methylamino)but-2-enimidamide.
What is the SMILES notation for (Z)-3-(methylamino)but-2-enimidamide?
The canonical SMILES for (Z)-3-(methylamino)but-2-enimidamide is [H]/N=C(N)/C=C(/C)NC.
What is the InChIKey of (Z)-3-(methylamino)but-2-enimidamide?
The InChIKey is NVRYXMFRHXRNRY-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(8-2)3-5(6)7/h3,8H,1-2H3,(H3,6,7)/b4-3-.
What are the key properties of (Z)-3-(methylamino)but-2-enimidamide?
(Z)-3-(methylamino)but-2-enimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)but-2-enimidamide is sourced from PubChem (CID 139436636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).