N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H32N2O — CID 65471991

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCOC1CC(NC2CC3CCCC(C2)N3C)C12CCC2
InChIInChI=1S/C18H32N2O/c1-3-21-17-12-16(18(17)8-5-9-18)19-13-10-14-6-4-7-15(11-13)20(14)2/h13-17,19H,3-12H2,1-2H3
InChIKeySECVHTAAZBGRHU-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.94
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471991) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471991
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCOC1CC(NC2CC3CCCC(C2)N3C)C12CCC2
InChIInChI=1S/C18H32N2O/c1-3-21-17-12-16(18(17)8-5-9-18)19-13-10-14-6-4-7-15(11-13)20(14)2/h13-17,19H,3-12H2,1-2H3
InChIKeySECVHTAAZBGRHU-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471991) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCOC1CC(NC2CC3CCCC(C2)N3C)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is SECVHTAAZBGRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-21-17-12-16(18(17)8-5-9-18)19-13-10-14-6-4-7-15(11-13)20(14)2/h13-17,19H,3-12H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 292.47 g/mol, XLogP of 2.94, 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)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).