ethylidene-methyl-(4-methylpent-1-enyl)azanium

C9H18N+ — CID 123393465

IUPACethylidene-methyl-(4-methylpent-1-enyl)azanium
SMILESC/C=[N+](\C)C=CCC(C)C
InChIInChI=1S/C9H18N/c1-5-10(4)8-6-7-9(2)3/h5-6,8-9H,7H2,1-4H3/q+1/b8-6?,10-5+
InChIKeyLWECOMRQHUEZQA-QXTQWVAJSA-N
MW140.25 g/mol
LogP2.28
Rot. Bonds3

About ethylidene-methyl-(4-methylpent-1-enyl)azanium

ethylidene-methyl-(4-methylpent-1-enyl)azanium (PubChem CID 123393465) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is ethylidene-methyl-(4-methylpent-1-enyl)azanium.

Molecular Properties

Compound Nameethylidene-methyl-(4-methylpent-1-enyl)azanium
PubChem CID123393465
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Nameethylidene-methyl-(4-methylpent-1-enyl)azanium
SMILESC/C=[N+](\C)C=CCC(C)C
InChIInChI=1S/C9H18N/c1-5-10(4)8-6-7-9(2)3/h5-6,8-9H,7H2,1-4H3/q+1/b8-6?,10-5+
InChIKeyLWECOMRQHUEZQA-QXTQWVAJSA-N
XLogP2.28
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylidene-methyl-(4-methylpent-1-enyl)azanium?
The IUPAC name of ethylidene-methyl-(4-methylpent-1-enyl)azanium (CID 123393465) is ethylidene-methyl-(4-methylpent-1-enyl)azanium.
What is the SMILES notation for ethylidene-methyl-(4-methylpent-1-enyl)azanium?
The canonical SMILES for ethylidene-methyl-(4-methylpent-1-enyl)azanium is C/C=[N+](\C)C=CCC(C)C.
What is the InChIKey of ethylidene-methyl-(4-methylpent-1-enyl)azanium?
The InChIKey is LWECOMRQHUEZQA-QXTQWVAJSA-N. The full InChI is InChI=1S/C9H18N/c1-5-10(4)8-6-7-9(2)3/h5-6,8-9H,7H2,1-4H3/q+1/b8-6?,10-5+.
What are the key properties of ethylidene-methyl-(4-methylpent-1-enyl)azanium?
ethylidene-methyl-(4-methylpent-1-enyl)azanium has a molecular weight of 140.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-methyl-(4-methylpent-1-enyl)azanium is sourced from PubChem (CID 123393465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).