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

C13H29N2+ — CID 159456107

IUPACazane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium
SMILESC/C=C\[N+](=C\C)CCCCCCCC.N
InChIInChI=1S/C13H26N.H3N/c1-4-7-8-9-10-11-13-14(6-3)12-5-2;/h5-6,12H,4,7-11,13H2,1-3H3;1H3/q+1;/b12-5-,14-6-;
InChIKeySUDBCHNTXDEKCM-LUFNGPKJSA-N
MW213.39 g/mol
LogP4.15
Rot. Bonds8

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

azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium (PubChem CID 159456107) has the molecular formula C13H29N2+ and a molecular weight of 213.39 g/mol. Its IUPAC name is azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium.

Molecular Properties

Compound Nameazane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium
PubChem CID159456107
Molecular FormulaC13H29N2+
Molecular Weight213.39 g/mol
Exact Mass213.23
IUPAC Nameazane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium
SMILESC/C=C\[N+](=C\C)CCCCCCCC.N
InChIInChI=1S/C13H26N.H3N/c1-4-7-8-9-10-11-13-14(6-3)12-5-2;/h5-6,12H,4,7-11,13H2,1-3H3;1H3/q+1;/b12-5-,14-6-;
InChIKeySUDBCHNTXDEKCM-LUFNGPKJSA-N
XLogP4.15
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium?
The IUPAC name of azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium (CID 159456107) is azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium.
What is the SMILES notation for azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium?
The canonical SMILES for azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium is C/C=C\[N+](=C\C)CCCCCCCC.N.
What is the InChIKey of azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium?
The InChIKey is SUDBCHNTXDEKCM-LUFNGPKJSA-N. The full InChI is InChI=1S/C13H26N.H3N/c1-4-7-8-9-10-11-13-14(6-3)12-5-2;/h5-6,12H,4,7-11,13H2,1-3H3;1H3/q+1;/b12-5-,14-6-;.
What are the key properties of azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium?
azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium has a molecular weight of 213.39 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethylidene-octyl-[(Z)-prop-1-enyl]azanium is sourced from PubChem (CID 159456107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).