ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium

C12H24N+ — CID 139860318

IUPACethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium
SMILESC=CCC(C)(CC=C)[N+](C)(C)CC
InChIInChI=1S/C12H24N/c1-7-10-12(4,11-8-2)13(5,6)9-3/h7-8H,1-2,9-11H2,3-6H3/q+1
InChIKeyLYZGOLJJCGOBIO-UHFFFAOYSA-N
MW182.33 g/mol
LogP2.99
Rot. Bonds6

About ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium

ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium (PubChem CID 139860318) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium
PubChem CID139860318
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Nameethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium
SMILESC=CCC(C)(CC=C)[N+](C)(C)CC
InChIInChI=1S/C12H24N/c1-7-10-12(4,11-8-2)13(5,6)9-3/h7-8H,1-2,9-11H2,3-6H3/q+1
InChIKeyLYZGOLJJCGOBIO-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-carboxypent-4-en-2-yl-ethyl-dimethylazanium
CID 87400089
(5E)-4,4,6-trimethylocta-1,5-diene
CID 173435548
2,5,5-trimethylocta-3,7-dien-2-amine
CID 91514894
2-chloropropan-2-yl-dimethyl-prop-2-enylazanium
CID 174955860
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290
3-methylhexa-1,5-dien-3-olate
CID 101095680
4-methyl-4-propylhept-1-ene
CID 139926982
2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
CID 173037524
4-chloro-4-methylpent-1-ene
CID 14174361
4-ethyl-4,7,7-trimethylnon-1-ene
CID 123137671
1-tert-butylsulfanyl-2-(tert-butylsulfanylmethyl)pent-4-en-2-ol
CID 71669760
3,3-dimethylhex-5-en-2-amine
CID 130019272

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium?
The IUPAC name of ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium (CID 139860318) is ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium.
What is the SMILES notation for ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium?
The canonical SMILES for ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium is C=CCC(C)(CC=C)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium?
The InChIKey is LYZGOLJJCGOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N/c1-7-10-12(4,11-8-2)13(5,6)9-3/h7-8H,1-2,9-11H2,3-6H3/q+1.
What are the key properties of ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium?
ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium has a molecular weight of 182.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium is sourced from PubChem (CID 139860318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).