[amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium

C11H24N3+ — CID 163662683

IUPAC[amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium
SMILESCCC(C)(C)C(C)=CCN/C(N)=[NH+]/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)/p+1
InChIKeyIVTBXYATFKNQNY-UHFFFAOYSA-O
MW198.33 g/mol
LogP-0.02
Rot. Bonds4

About [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium

[amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium (PubChem CID 163662683) has the molecular formula C11H24N3+ and a molecular weight of 198.33 g/mol. Its IUPAC name is [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium.

Molecular Properties

Compound Name[amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium
PubChem CID163662683
Molecular FormulaC11H24N3+
Molecular Weight198.33 g/mol
Exact Mass198.20
IUPAC Name[amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium
SMILESCCC(C)(C)C(C)=CCN/C(N)=[NH+]/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)/p+1
InChIKeyIVTBXYATFKNQNY-UHFFFAOYSA-O
XLogP-0.02
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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
1,2-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]guanidine
CID 132606932
2-Methyl-1-(3,4,4-trimethylhex-2-enyl)guanidine
CID 163662684

Frequently Asked Questions

What is the IUPAC name of [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium?
The IUPAC name of [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium (CID 163662683) is [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium.
What is the SMILES notation for [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium?
The canonical SMILES for [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium is CCC(C)(C)C(C)=CCN/C(N)=[NH+]/C.
What is the InChIKey of [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium?
The InChIKey is IVTBXYATFKNQNY-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium?
[amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium has a molecular weight of 198.33 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium is sourced from PubChem (CID 163662683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).