2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine

C11H19N3 — CID 123246529

IUPAC2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine
SMILESC=C(C)C(C)=N/C(N)=N/C(C)C(=C)C
InChIInChI=1S/C11H19N3/c1-7(2)9(5)13-11(12)14-10(6)8(3)4/h9H,1,3H2,2,4-6H3,(H2,12,13)
InChIKeyBHDBLESFVQCTQY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine

2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine (PubChem CID 123246529) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine.

Molecular Properties

Compound Name2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine
PubChem CID123246529
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine
SMILESC=C(C)C(C)=N/C(N)=N/C(C)C(=C)C
InChIInChI=1S/C11H19N3/c1-7(2)9(5)13-11(12)14-10(6)8(3)4/h9H,1,3H2,2,4-6H3,(H2,12,13)
InChIKeyBHDBLESFVQCTQY-UHFFFAOYSA-N
XLogP2.30
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

2-methylidene-N'-propan-2-ylbutanimidamide
CID 123621247
2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide
CID 123833939
ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218579
ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
CID 142218592
2-methyl-N'-pentan-3-ylprop-2-enimidamide
CID 155463425
N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218580
N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
CID 142218593

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine?
The IUPAC name of 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine (CID 123246529) is 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine.
What is the SMILES notation for 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine?
The canonical SMILES for 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine is C=C(C)C(C)=N/C(N)=N/C(C)C(=C)C.
What is the InChIKey of 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine?
The InChIKey is BHDBLESFVQCTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7(2)9(5)13-11(12)14-10(6)8(3)4/h9H,1,3H2,2,4-6H3,(H2,12,13).
What are the key properties of 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine?
2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine has a molecular weight of 193.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine is sourced from PubChem (CID 123246529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).