2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine

C11H23N3 — CID 163662684

IUPAC2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine
SMILESCCC(C)(C)C(C)=CCN/C(N)=N/C
InChIInChI=1S/C11H23N3/c1-6-11(3,4)9(2)7-8-14-10(12)13-5/h7H,6,8H2,1-5H3,(H3,12,13,14)
InChIKeyIVTBXYATFKNQNY-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine

2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine (PubChem CID 163662684) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine
PubChem CID163662684
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine
SMILESCCC(C)(C)C(C)=CCN/C(N)=N/C
InChIInChI=1S/C11H23N3/c1-6-11(3,4)9(2)7-8-14-10(12)13-5/h7H,6,8H2,1-5H3,(H3,12,13,14)
InChIKeyIVTBXYATFKNQNY-UHFFFAOYSA-N
XLogP1.90
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
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

Nitensidine A
CID 10246147
1,2-Bis(3,7-dimethylocta-2,6-dienyl)guanidine
CID 162820217
[Amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium
CID 163662683
1,2-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]guanidine
CID 132606932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine?
The IUPAC name of 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine (CID 163662684) is 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine?
The canonical SMILES for 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine is CCC(C)(C)C(C)=CCN/C(N)=N/C.
What is the InChIKey of 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine?
The InChIKey is IVTBXYATFKNQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-11(3,4)9(2)7-8-14-10(12)13-5/h7H,6,8H2,1-5H3,(H3,12,13,14).
What are the key properties of 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine?
2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine has a molecular weight of 197.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine is sourced from PubChem (CID 163662684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).