6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene

C13H17N3O — CID 61398910

IUPAC6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene
SMILES[N-]=[N+]=NCCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H17N3O/c14-16-15-8-3-9-17-13-7-6-11-4-1-2-5-12(11)10-13/h6-7,10H,1-5,8-9H2
InChIKeyKZQDMDASJIFMRB-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.64
Rot. Bonds5

About 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene

6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 61398910) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID61398910
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene
SMILES[N-]=[N+]=NCCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H17N3O/c14-16-15-8-3-9-17-13-7-6-11-4-1-2-5-12(11)10-13/h6-7,10H,1-5,8-9H2
InChIKeyKZQDMDASJIFMRB-UHFFFAOYSA-N
XLogP3.64
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile
CID 54965695
1-(3-azidopropoxy)-4-propylbenzene
CID 62550685
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
CID 43212374
7-(3-azidopropoxy)quinoline
CID 107314475
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053

Frequently Asked Questions

What is the IUPAC name of 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene (CID 61398910) is 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene is [N-]=[N+]=NCCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KZQDMDASJIFMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-16-15-8-3-9-17-13-7-6-11-4-1-2-5-12(11)10-13/h6-7,10H,1-5,8-9H2.
What are the key properties of 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene?
6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 231.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 61398910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).