ethyl-dimethyl-(3-methylhex-2-enyl)azanium

C11H24N+ — CID 123890435

IUPACethyl-dimethyl-(3-methylhex-2-enyl)azanium
SMILESCCCC(C)=CC[N+](C)(C)CC
InChIInChI=1S/C11H24N/c1-6-8-11(3)9-10-12(4,5)7-2/h9H,6-8,10H2,1-5H3/q+1
InChIKeyLJGQKZLQTRWEIU-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.83
Rot. Bonds5

About ethyl-dimethyl-(3-methylhex-2-enyl)azanium

ethyl-dimethyl-(3-methylhex-2-enyl)azanium (PubChem CID 123890435) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is ethyl-dimethyl-(3-methylhex-2-enyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(3-methylhex-2-enyl)azanium
PubChem CID123890435
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Nameethyl-dimethyl-(3-methylhex-2-enyl)azanium
SMILESCCCC(C)=CC[N+](C)(C)CC
InChIInChI=1S/C11H24N/c1-6-8-11(3)9-10-12(4,5)7-2/h9H,6-8,10H2,1-5H3/q+1
InChIKeyLJGQKZLQTRWEIU-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.83
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

2,6-Octadien-1-amine, N,N-diethyl-3,7-dimethyl-, (2E)-
CID 6390621
2,6,10-Dodecatrienylamine, N-allyl-N,3,7,11-tetramethyl
CID 6434915
n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine
CID 324495
1-Geranylpiperidine
CID 12760939
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
2,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (E,E)-
CID 6366858
2,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (Z,Z)-
CID 6446209
2,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (E,Z)-
CID 6446212
Ethyl-bis-(3,7,11-trimethyl-dodeca-2,6,10-trienyl)-amine
CID 10343922
N,N-Diethylazasqualene
CID 6439792
(Z)-N,N-Diethyl-3,7-dimethylocta-2,6-dien-1-amine
CID 6243343

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(3-methylhex-2-enyl)azanium?
The IUPAC name of ethyl-dimethyl-(3-methylhex-2-enyl)azanium (CID 123890435) is ethyl-dimethyl-(3-methylhex-2-enyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(3-methylhex-2-enyl)azanium?
The canonical SMILES for ethyl-dimethyl-(3-methylhex-2-enyl)azanium is CCCC(C)=CC[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(3-methylhex-2-enyl)azanium?
The InChIKey is LJGQKZLQTRWEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-6-8-11(3)9-10-12(4,5)7-2/h9H,6-8,10H2,1-5H3/q+1.
What are the key properties of ethyl-dimethyl-(3-methylhex-2-enyl)azanium?
ethyl-dimethyl-(3-methylhex-2-enyl)azanium has a molecular weight of 170.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(3-methylhex-2-enyl)azanium is sourced from PubChem (CID 123890435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).