N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine

C18H31NO — CID 65169614

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC2CC3CCC2C3)C12CCCCC2
InChIInChI=1S/C18H31NO/c1-2-20-17-12-16(18(17)8-4-3-5-9-18)19-15-11-13-6-7-14(15)10-13/h13-17,19H,2-12H2,1H3
InChIKeySRGWTDCABXMZNJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.89
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65169614) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65169614
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC2CC3CCC2C3)C12CCCCC2
InChIInChI=1S/C18H31NO/c1-2-20-17-12-16(18(17)8-4-3-5-9-18)19-15-11-13-6-7-14(15)10-13/h13-17,19H,2-12H2,1H3
InChIKeySRGWTDCABXMZNJ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295084
N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864239
(3R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 99630641
(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 100627103
3-ethoxy-N-(2-ethylcyclohexyl)spiro[3.3]heptan-1-amine
CID 65295050
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 65169614) is N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(NC2CC3CCC2C3)C12CCCCC2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is SRGWTDCABXMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-20-17-12-16(18(17)8-4-3-5-9-18)19-15-11-13-6-7-14(15)10-13/h13-17,19H,2-12H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).