ethylidene-octyl-[(Z)-prop-1-enyl]azanium

C13H26N+ — CID 59916173

IUPACethylidene-octyl-[(Z)-prop-1-enyl]azanium
SMILESC/C=C\[N+](=C\C)CCCCCCCC
InChIInChI=1S/C13H26N/c1-4-7-8-9-10-11-13-14(6-3)12-5-2/h5-6,12H,4,7-11,13H2,1-3H3/q+1/b12-5-,14-6-
InChIKeyBCJIRYVOSOXIKP-ZVKDIXJXSA-N
MW196.36 g/mol
LogP3.98
Rot. Bonds8

About ethylidene-octyl-[(Z)-prop-1-enyl]azanium

ethylidene-octyl-[(Z)-prop-1-enyl]azanium (PubChem CID 59916173) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is ethylidene-octyl-[(Z)-prop-1-enyl]azanium.

Molecular Properties

Compound Nameethylidene-octyl-[(Z)-prop-1-enyl]azanium
PubChem CID59916173
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Nameethylidene-octyl-[(Z)-prop-1-enyl]azanium
SMILESC/C=C\[N+](=C\C)CCCCCCCC
InChIInChI=1S/C13H26N/c1-4-7-8-9-10-11-13-14(6-3)12-5-2/h5-6,12H,4,7-11,13H2,1-3H3/q+1/b12-5-,14-6-
InChIKeyBCJIRYVOSOXIKP-ZVKDIXJXSA-N
XLogP3.98
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.98
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylidene-octyl-[(Z)-prop-1-enyl]azanium?
The IUPAC name of ethylidene-octyl-[(Z)-prop-1-enyl]azanium (CID 59916173) is ethylidene-octyl-[(Z)-prop-1-enyl]azanium.
What is the SMILES notation for ethylidene-octyl-[(Z)-prop-1-enyl]azanium?
The canonical SMILES for ethylidene-octyl-[(Z)-prop-1-enyl]azanium is C/C=C\[N+](=C\C)CCCCCCCC.
What is the InChIKey of ethylidene-octyl-[(Z)-prop-1-enyl]azanium?
The InChIKey is BCJIRYVOSOXIKP-ZVKDIXJXSA-N. The full InChI is InChI=1S/C13H26N/c1-4-7-8-9-10-11-13-14(6-3)12-5-2/h5-6,12H,4,7-11,13H2,1-3H3/q+1/b12-5-,14-6-.
What are the key properties of ethylidene-octyl-[(Z)-prop-1-enyl]azanium?
ethylidene-octyl-[(Z)-prop-1-enyl]azanium has a molecular weight of 196.36 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-octyl-[(Z)-prop-1-enyl]azanium is sourced from PubChem (CID 59916173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).