ethylidene-hex-5-enyl-methylazanium

C9H18N+ — CID 123826949

IUPACethylidene-hex-5-enyl-methylazanium
SMILESC=CCCCC/[N+](C)=C/C
InChIInChI=1S/C9H18N/c1-4-6-7-8-9-10(3)5-2/h4-5H,1,6-9H2,2-3H3/q+1/b10-5+
InChIKeyCWRNXENPGPBBTG-BJMVGYQFSA-N
MW140.25 g/mol
LogP2.08
Rot. Bonds5

About ethylidene-hex-5-enyl-methylazanium

ethylidene-hex-5-enyl-methylazanium (PubChem CID 123826949) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is ethylidene-hex-5-enyl-methylazanium.

Molecular Properties

Compound Nameethylidene-hex-5-enyl-methylazanium
PubChem CID123826949
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Nameethylidene-hex-5-enyl-methylazanium
SMILESC=CCCCC/[N+](C)=C/C
InChIInChI=1S/C9H18N/c1-4-6-7-8-9-10(3)5-2/h4-5H,1,6-9H2,2-3H3/q+1/b10-5+
InChIKeyCWRNXENPGPBBTG-BJMVGYQFSA-N
XLogP2.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-hex-5-enyl-methylazanium?
The IUPAC name of ethylidene-hex-5-enyl-methylazanium (CID 123826949) is ethylidene-hex-5-enyl-methylazanium.
What is the SMILES notation for ethylidene-hex-5-enyl-methylazanium?
The canonical SMILES for ethylidene-hex-5-enyl-methylazanium is C=CCCCC/[N+](C)=C/C.
What is the InChIKey of ethylidene-hex-5-enyl-methylazanium?
The InChIKey is CWRNXENPGPBBTG-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H18N/c1-4-6-7-8-9-10(3)5-2/h4-5H,1,6-9H2,2-3H3/q+1/b10-5+.
What are the key properties of ethylidene-hex-5-enyl-methylazanium?
ethylidene-hex-5-enyl-methylazanium has a molecular weight of 140.25 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-hex-5-enyl-methylazanium is sourced from PubChem (CID 123826949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).