N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine

C18H22N2O — CID 65294575

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
SMILESCCOC1CC(Nc2ccc3ncccc3c2)C12CCC2
InChIInChI=1S/C18H22N2O/c1-2-21-17-12-16(18(17)8-4-9-18)20-14-6-7-15-13(11-14)5-3-10-19-15/h3,5-7,10-11,16-17,20H,2,4,8-9,12H2,1H3
InChIKeyHXXVULSNIWTUPJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.99
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine (PubChem CID 65294575) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
PubChem CID65294575
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
SMILESCCOC1CC(Nc2ccc3ncccc3c2)C12CCC2
InChIInChI=1S/C18H22N2O/c1-2-21-17-12-16(18(17)8-4-9-18)20-14-6-7-15-13(11-14)5-3-10-19-15/h3,5-7,10-11,16-17,20H,2,4,8-9,12H2,1H3
InChIKeyHXXVULSNIWTUPJ-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxycyclobutyl)quinolin-6-amine
CID 112573906
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359
N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
CID 124570805
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
N-(2,6-dimethylcyclohexyl)quinolin-6-amine
CID 63476642
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132
N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 91643349
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 99811179
3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
CID 64864038

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine (CID 65294575) is N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine is CCOC1CC(Nc2ccc3ncccc3c2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine?
The InChIKey is HXXVULSNIWTUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-21-17-12-16(18(17)8-4-9-18)20-14-6-7-15-13(11-14)5-3-10-19-15/h3,5-7,10-11,16-17,20H,2,4,8-9,12H2,1H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine has a molecular weight of 282.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine is sourced from PubChem (CID 65294575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).