N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine

C16H22N2O — CID 90769244

IUPACN-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCN(CC1COC=N1)c1cccc2c1CCCC2
InChIInChI=1S/C16H22N2O/c1-2-18(10-14-11-19-12-17-14)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14H,2-4,6,8,10-11H2,1H3
InChIKeyDZNUFZFSIWVITL-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.82
Rot. Bonds4

About N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine

N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 90769244) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID90769244
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCN(CC1COC=N1)c1cccc2c1CCCC2
InChIInChI=1S/C16H22N2O/c1-2-18(10-14-11-19-12-17-14)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14H,2-4,6,8,10-11H2,1H3
InChIKeyDZNUFZFSIWVITL-UHFFFAOYSA-N
XLogP2.82
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 176916059
N-[[(4R)-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-ethyl-3-fluoro-5-(trifluoromethyl)aniline
CID 154459474
1-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)hydrazine
CID 102329971
N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54210687
methyl(5,6,7,8-tetrahydronaphthalen-1-yl)phosphane
CID 170002803
N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214501
N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43192228
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
N,N-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19804
N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214895
2,6-bis[2-[4-(diethylamino)phenyl]ethenyl]naphthalene-1-carbonitrile;2,6-bis[2-[4-[4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]naphthalene-1-carbonitrile;2,6-bis[2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]naphthalene-1-carbonitrile;N-[4-[2-[5-bromo-6-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 159942973

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 90769244) is N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine is CCN(CC1COC=N1)c1cccc2c1CCCC2.
What is the InChIKey of N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is DZNUFZFSIWVITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18(10-14-11-19-12-17-14)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14H,2-4,6,8,10-11H2,1H3.
What are the key properties of N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 258.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 90769244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).