acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine

C14H28N3+ — CID 166145400

IUPACacetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine
SMILESC#C.C1CCNC1.C=C(N)C(C(C)C)=[N+](C)C
InChIInChI=1S/C8H17N2.C4H9N.C2H2/c1-6(2)8(7(3)9)10(4)5;1-2-4-5-3-1;1-2/h6H,3,9H2,1-2,4-5H3;5H,1-4H2;1-2H/q+1;;
InChIKeyINTGGGJITRUGON-UHFFFAOYSA-N
MW238.40 g/mol
LogP1.45
Rot. Bonds2

About acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine

acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine (PubChem CID 166145400) has the molecular formula C14H28N3+ and a molecular weight of 238.40 g/mol. Its IUPAC name is acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine.

Molecular Properties

Compound Nameacetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine
PubChem CID166145400
Molecular FormulaC14H28N3+
Molecular Weight238.40 g/mol
Exact Mass238.23
IUPAC Nameacetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine
SMILESC#C.C1CCNC1.C=C(N)C(C(C)C)=[N+](C)C
InChIInChI=1S/C8H17N2.C4H9N.C2H2/c1-6(2)8(7(3)9)10(4)5;1-2-4-5-3-1;1-2/h6H,3,9H2,1-2,4-5H3;5H,1-4H2;1-2H/q+1;;
InChIKeyINTGGGJITRUGON-UHFFFAOYSA-N
XLogP1.45
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine?
The IUPAC name of acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine (CID 166145400) is acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine.
What is the SMILES notation for acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine?
The canonical SMILES for acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine is C#C.C1CCNC1.C=C(N)C(C(C)C)=[N+](C)C.
What is the InChIKey of acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine?
The InChIKey is INTGGGJITRUGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2.C4H9N.C2H2/c1-6(2)8(7(3)9)10(4)5;1-2-4-5-3-1;1-2/h6H,3,9H2,1-2,4-5H3;5H,1-4H2;1-2H/q+1;;.
What are the key properties of acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine?
acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine has a molecular weight of 238.40 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine is sourced from PubChem (CID 166145400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).