1-(2-azidoethyl)-7-propoxynaphthalene

C15H17N3O — CID 141289439

IUPAC1-(2-azidoethyl)-7-propoxynaphthalene
SMILESCCCOc1ccc2cccc(CCN=[N+]=[N-])c2c1
InChIInChI=1S/C15H17N3O/c1-2-10-19-14-7-6-12-4-3-5-13(15(12)11-14)8-9-17-18-16/h3-7,11H,2,8-10H2,1H3
InChIKeyJYRSKUUHNVCGKT-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.48
Rot. Bonds6

About 1-(2-azidoethyl)-7-propoxynaphthalene

1-(2-azidoethyl)-7-propoxynaphthalene (PubChem CID 141289439) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-azidoethyl)-7-propoxynaphthalene.

Molecular Properties

Compound Name1-(2-azidoethyl)-7-propoxynaphthalene
PubChem CID141289439
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(2-azidoethyl)-7-propoxynaphthalene
SMILESCCCOc1ccc2cccc(CCN=[N+]=[N-])c2c1
InChIInChI=1S/C15H17N3O/c1-2-10-19-14-7-6-12-4-3-5-13(15(12)11-14)8-9-17-18-16/h3-7,11H,2,8-10H2,1H3
InChIKeyJYRSKUUHNVCGKT-UHFFFAOYSA-N
XLogP4.48
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
2-(7-butoxynaphthalen-1-yl)acetic acid
CID 19085996
2-(7-pentoxynaphthalen-1-yl)acetic acid
CID 19086042
1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
3-(7-ethoxynaphthalen-1-yl)propan-1-amine
CID 19085994
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
7-(3-azidopropoxy)quinoline
CID 107314475
1-(3-azidopropoxy)-4-propylbenzene
CID 62550685
3-naphthalen-2-yloxypropyl 3-azidopropane-1-sulfonate
CID 58260780
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
1,7-diethoxynaphthalene
CID 13359547
5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole
CID 58812086

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-7-propoxynaphthalene?
The IUPAC name of 1-(2-azidoethyl)-7-propoxynaphthalene (CID 141289439) is 1-(2-azidoethyl)-7-propoxynaphthalene.
What is the SMILES notation for 1-(2-azidoethyl)-7-propoxynaphthalene?
The canonical SMILES for 1-(2-azidoethyl)-7-propoxynaphthalene is CCCOc1ccc2cccc(CCN=[N+]=[N-])c2c1.
What is the InChIKey of 1-(2-azidoethyl)-7-propoxynaphthalene?
The InChIKey is JYRSKUUHNVCGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-10-19-14-7-6-12-4-3-5-13(15(12)11-14)8-9-17-18-16/h3-7,11H,2,8-10H2,1H3.
What are the key properties of 1-(2-azidoethyl)-7-propoxynaphthalene?
1-(2-azidoethyl)-7-propoxynaphthalene has a molecular weight of 255.32 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-7-propoxynaphthalene is sourced from PubChem (CID 141289439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).