6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine

C13H21N3O — CID 54481468

IUPAC6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCNNC1CCc2c(N)ccc(OC)c2C1
InChIInChI=1S/C13H21N3O/c1-3-15-16-9-4-5-10-11(8-9)13(17-2)7-6-12(10)14/h6-7,9,15-16H,3-5,8,14H2,1-2H3
InChIKeyXPGWUZXRHNEMFJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.25
Rot. Bonds4

About 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine

6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 54481468) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID54481468
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCNNC1CCc2c(N)ccc(OC)c2C1
InChIInChI=1S/C13H21N3O/c1-3-15-16-9-4-5-10-11(8-9)13(17-2)7-6-12(10)14/h6-7,9,15-16H,3-5,8,14H2,1-2H3
InChIKeyXPGWUZXRHNEMFJ-UHFFFAOYSA-N
XLogP1.25
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924823
5,8-dimethoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14023938
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782
4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 12773157
(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
CID 158989698
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 5073341
7-N-(2,2-difluoroethyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4,7-diamine
CID 131729604
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 129405272
2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 76585456
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine (CID 54481468) is 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine is CCNNC1CCc2c(N)ccc(OC)c2C1.
What is the InChIKey of 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is XPGWUZXRHNEMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-15-16-9-4-5-10-11(8-9)13(17-2)7-6-12(10)14/h6-7,9,15-16H,3-5,8,14H2,1-2H3.
What are the key properties of 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine?
6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 54481468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).