3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine

C13H23NO — CID 65294430

IUPAC3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC2CC2C)C12CCC2
InChIInChI=1S/C13H23NO/c1-3-15-12-8-11(13(12)5-4-6-13)14-10-7-9(10)2/h9-12,14H,3-8H2,1-2H3
InChIKeyWGPDCOZKZKQQEV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds4

About 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine (PubChem CID 65294430) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
PubChem CID65294430
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC2CC2C)C12CCC2
InChIInChI=1S/C13H23NO/c1-3-15-12-8-11(13(12)5-4-6-13)14-10-7-9(10)2/h9-12,14H,3-8H2,1-2H3
InChIKeyWGPDCOZKZKQQEV-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295084
3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819
N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864239
3-ethoxy-N-(2-propylcyclopropyl)spiro[3.3]heptan-1-amine
CID 103921918
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine
CID 115723735
3-ethoxy-N-(2-ethylcyclohexyl)spiro[3.3]heptan-1-amine
CID 65295050
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169614
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine (CID 65294430) is 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine is CCOC1CC(NC2CC2C)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine?
The InChIKey is WGPDCOZKZKQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-15-12-8-11(13(12)5-4-6-13)14-10-7-9(10)2/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).