ethylidene-hex-3-en-3-yl-pentan-2-ylazanium

C13H26N+ — CID 123424791

IUPACethylidene-hex-3-en-3-yl-pentan-2-ylazanium
SMILESC/C=[N+](/C(=CCC)CC)C(C)CCC
InChIInChI=1S/C13H26N/c1-6-10-12(5)14(9-4)13(8-3)11-7-2/h9,11-12H,6-8,10H2,1-5H3/q+1/b13-11?,14-9+
InChIKeyQGSIGHXAKODOCK-LUISTUDMSA-N
MW196.36 g/mol
LogP3.98
Rot. Bonds6

About ethylidene-hex-3-en-3-yl-pentan-2-ylazanium

ethylidene-hex-3-en-3-yl-pentan-2-ylazanium (PubChem CID 123424791) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is ethylidene-hex-3-en-3-yl-pentan-2-ylazanium.

Molecular Properties

Compound Nameethylidene-hex-3-en-3-yl-pentan-2-ylazanium
PubChem CID123424791
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Nameethylidene-hex-3-en-3-yl-pentan-2-ylazanium
SMILESC/C=[N+](/C(=CCC)CC)C(C)CCC
InChIInChI=1S/C13H26N/c1-6-10-12(5)14(9-4)13(8-3)11-7-2/h9,11-12H,6-8,10H2,1-5H3/q+1/b13-11?,14-9+
InChIKeyQGSIGHXAKODOCK-LUISTUDMSA-N
XLogP3.98
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Methyl-(5-methylhex-3-en-3-yl)-propylideneazanium
CID 91307207
N-methyl-N-propan-2-yl-3-(3H-pyrrol-5-yl)propan-1-amine
CID 117754029
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
N-[[(Z)-[(E)-hex-2-enylidene]amino]methyl]-N-prop-1-en-2-ylpentan-2-amine
CID 141876946
(Z)-3-(ethylideneamino)-N,N-dimethylpent-3-en-1-amine
CID 144466397

Frequently Asked Questions

What is the IUPAC name of ethylidene-hex-3-en-3-yl-pentan-2-ylazanium?
The IUPAC name of ethylidene-hex-3-en-3-yl-pentan-2-ylazanium (CID 123424791) is ethylidene-hex-3-en-3-yl-pentan-2-ylazanium.
What is the SMILES notation for ethylidene-hex-3-en-3-yl-pentan-2-ylazanium?
The canonical SMILES for ethylidene-hex-3-en-3-yl-pentan-2-ylazanium is C/C=[N+](/C(=CCC)CC)C(C)CCC.
What is the InChIKey of ethylidene-hex-3-en-3-yl-pentan-2-ylazanium?
The InChIKey is QGSIGHXAKODOCK-LUISTUDMSA-N. The full InChI is InChI=1S/C13H26N/c1-6-10-12(5)14(9-4)13(8-3)11-7-2/h9,11-12H,6-8,10H2,1-5H3/q+1/b13-11?,14-9+.
What are the key properties of ethylidene-hex-3-en-3-yl-pentan-2-ylazanium?
ethylidene-hex-3-en-3-yl-pentan-2-ylazanium has a molecular weight of 196.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-hex-3-en-3-yl-pentan-2-ylazanium is sourced from PubChem (CID 123424791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).