3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium

C14H22NO+ — CID 7380399

IUPAC3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
SMILESC[NH+](C)CCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO/c1-15(2)9-4-10-16-14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3/p+1
InChIKeyANCLLYKFOYIORL-UHFFFAOYSA-O
MW220.34 g/mol
LogP1.09
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium

3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium (PubChem CID 7380399) has the molecular formula C14H22NO+ and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
PubChem CID7380399
Molecular FormulaC14H22NO+
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
SMILESC[NH+](C)CCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO/c1-15(2)9-4-10-16-14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3/p+1
InChIKeyANCLLYKFOYIORL-UHFFFAOYSA-O
XLogP1.09
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
CID 82353891
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium (CID 7380399) is 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium is C[NH+](C)CCCOc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium?
The InChIKey is ANCLLYKFOYIORL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO/c1-15(2)9-4-10-16-14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3/p+1.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium?
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium has a molecular weight of 220.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium is sourced from PubChem (CID 7380399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).