N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C19H27NO — CID 65295086

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOC1CC(NC2CCCc3ccccc32)C12CCC2
InChIInChI=1S/C19H27NO/c1-2-21-18-13-17(19(18)11-6-12-19)20-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16-18,20H,2,5-6,8,10-13H2,1H3
InChIKeyCMXYEBZPWVCXGY-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.00
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65295086) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65295086
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOC1CC(NC2CCCc3ccccc32)C12CCC2
InChIInChI=1S/C19H27NO/c1-2-21-18-13-17(19(18)11-6-12-19)20-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16-18,20H,2,5-6,8,10-13H2,1H3
InChIKeyCMXYEBZPWVCXGY-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
3-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutan-1-amine
CID 103917323
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115998636
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64731805
N-[2-(difluoromethylsulfanyl)phenyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295421
N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107266111

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65295086) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCOC1CC(NC2CCCc3ccccc32)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CMXYEBZPWVCXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-21-18-13-17(19(18)11-6-12-19)20-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16-18,20H,2,5-6,8,10-13H2,1H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65295086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).