2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide

C10H19N3 — CID 166870968

IUPAC2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide
SMILESCC(C)=C(C)/N=C(\N)C(N)=C(C)C
InChIInChI=1S/C10H19N3/c1-6(2)8(5)13-10(12)9(11)7(3)4/h11H2,1-5H3,(H2,12,13)
InChIKeyCGAQOXDGJICDAC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds2

About 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide

2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide (PubChem CID 166870968) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide.

Molecular Properties

Compound Name2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide
PubChem CID166870968
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide
SMILESCC(C)=C(C)/N=C(\N)C(N)=C(C)C
InChIInChI=1S/C10H19N3/c1-6(2)8(5)13-10(12)9(11)7(3)4/h11H2,1-5H3,(H2,12,13)
InChIKeyCGAQOXDGJICDAC-UHFFFAOYSA-N
XLogP1.91
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide?
The IUPAC name of 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide (CID 166870968) is 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide.
What is the SMILES notation for 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide?
The canonical SMILES for 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide is CC(C)=C(C)/N=C(\N)C(N)=C(C)C.
What is the InChIKey of 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide?
The InChIKey is CGAQOXDGJICDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6(2)8(5)13-10(12)9(11)7(3)4/h11H2,1-5H3,(H2,12,13).
What are the key properties of 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide?
2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide is sourced from PubChem (CID 166870968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).