(3-ethyl-5-methoxypentyl)-trimethylazanium

C11H26NO+ — CID 20714784

IUPAC(3-ethyl-5-methoxypentyl)-trimethylazanium
SMILESCCC(CCOC)CC[N+](C)(C)C
InChIInChI=1S/C11H26NO/c1-6-11(8-10-13-5)7-9-12(2,3)4/h11H,6-10H2,1-5H3/q+1
InChIKeyWZJNXDJZZOADJC-UHFFFAOYSA-N
MW188.33 g/mol
LogP2.15
Rot. Bonds7

About (3-ethyl-5-methoxypentyl)-trimethylazanium

(3-ethyl-5-methoxypentyl)-trimethylazanium (PubChem CID 20714784) has the molecular formula C11H26NO+ and a molecular weight of 188.33 g/mol. Its IUPAC name is (3-ethyl-5-methoxypentyl)-trimethylazanium.

Molecular Properties

Compound Name(3-ethyl-5-methoxypentyl)-trimethylazanium
PubChem CID20714784
Molecular FormulaC11H26NO+
Molecular Weight188.33 g/mol
Exact Mass188.20
IUPAC Name(3-ethyl-5-methoxypentyl)-trimethylazanium
SMILESCCC(CCOC)CC[N+](C)(C)C
InChIInChI=1S/C11H26NO/c1-6-11(8-10-13-5)7-9-12(2,3)4/h11H,6-10H2,1-5H3/q+1
InChIKeyWZJNXDJZZOADJC-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methoxyethyl)-1-propylpiperidine
CID 134579822
5-Dimethylamino-3-methyl-pentanol
CID 11147796
1-(Fluoromethyl)-4-(2-methoxyethyl)piperidine
CID 154684316
5-(Diethylamino)-3-methylpentan-1-ol
CID 12040636
5-(Dibutylamino)-3-methylpentan-1-ol
CID 12040637
N,N-dibutyl-4-methyloxan-2-amine
CID 12040644
N,N,4-trimethyloxan-2-amine
CID 12349967
N,N-diethyl-5-methoxypentan-1-amine
CID 13112460
5-Methoxy-N,N-dimethylpentan-1-amine
CID 13115259
3-ethyl-5-methoxy-N,N-dimethylpentan-1-amine
CID 20714780
3-ethyl-5-methoxy-N,N-dipropylpentan-1-amine
CID 20714781
3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 20714783

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methoxypentyl)-trimethylazanium?
The IUPAC name of (3-ethyl-5-methoxypentyl)-trimethylazanium (CID 20714784) is (3-ethyl-5-methoxypentyl)-trimethylazanium.
What is the SMILES notation for (3-ethyl-5-methoxypentyl)-trimethylazanium?
The canonical SMILES for (3-ethyl-5-methoxypentyl)-trimethylazanium is CCC(CCOC)CC[N+](C)(C)C.
What is the InChIKey of (3-ethyl-5-methoxypentyl)-trimethylazanium?
The InChIKey is WZJNXDJZZOADJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO/c1-6-11(8-10-13-5)7-9-12(2,3)4/h11H,6-10H2,1-5H3/q+1.
What are the key properties of (3-ethyl-5-methoxypentyl)-trimethylazanium?
(3-ethyl-5-methoxypentyl)-trimethylazanium has a molecular weight of 188.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methoxypentyl)-trimethylazanium is sourced from PubChem (CID 20714784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).