N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C14H21NO2 — CID 55233075

IUPACN-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCOC(CNc1cccc2c1CCCC2)OC
InChIInChI=1S/C14H21NO2/c1-16-14(17-2)10-15-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9,14-15H,3-4,6,8,10H2,1-2H3
InChIKeySFXMTYIENFMZMX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 55233075) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID55233075
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCOC(CNc1cccc2c1CCCC2)OC
InChIInChI=1S/C14H21NO2/c1-16-14(17-2)10-15-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9,14-15H,3-4,6,8,10H2,1-2H3
InChIKeySFXMTYIENFMZMX-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114265228
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43129204
3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile
CID 103366909
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 55233075) is N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is COC(CNc1cccc2c1CCCC2)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is SFXMTYIENFMZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-14(17-2)10-15-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9,14-15H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 55233075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).