2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide

C10H19N3 — CID 138579603

IUPAC2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide
SMILESC=CC(C)/C(=N\C(C)C)N/C=N/C
InChIInChI=1S/C10H19N3/c1-6-9(4)10(12-7-11-5)13-8(2)3/h6-9H,1H2,2-5H3,(H,11,12,13)
InChIKeyYJYSIGMOAFSUGH-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide

2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide (PubChem CID 138579603) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide.

Molecular Properties

Compound Name2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide
PubChem CID138579603
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide
SMILESC=CC(C)/C(=N\C(C)C)N/C=N/C
InChIInChI=1S/C10H19N3/c1-6-9(4)10(12-7-11-5)13-8(2)3/h6-9H,1H2,2-5H3,(H,11,12,13)
InChIKeyYJYSIGMOAFSUGH-UHFFFAOYSA-N
XLogP1.86
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide?
The IUPAC name of 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide (CID 138579603) is 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide.
What is the SMILES notation for 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide?
The canonical SMILES for 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide is C=CC(C)/C(=N\C(C)C)N/C=N/C.
What is the InChIKey of 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide?
The InChIKey is YJYSIGMOAFSUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-9(4)10(12-7-11-5)13-8(2)3/h6-9H,1H2,2-5H3,(H,11,12,13).
What are the key properties of 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide?
2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(methyliminomethyl)-N'-propan-2-ylbut-3-enimidamide is sourced from PubChem (CID 138579603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).