N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine

C17H31NO — CID 65295084

IUPACN-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC2CCCC(C)C2C)C12CCC2
InChIInChI=1S/C17H31NO/c1-4-19-16-11-15(17(16)9-6-10-17)18-14-8-5-7-12(2)13(14)3/h12-16,18H,4-11H2,1-3H3
InChIKeyDOLHICIBQRKMRW-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine

N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 65295084) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID65295084
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC2CCCC(C)C2C)C12CCC2
InChIInChI=1S/C17H31NO/c1-4-19-16-11-15(17(16)9-6-10-17)18-14-8-5-7-12(2)13(14)3/h12-16,18H,4-11H2,1-3H3
InChIKeyDOLHICIBQRKMRW-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819
3-ethoxy-N-(2-ethylcyclohexyl)spiro[3.3]heptan-1-amine
CID 65295050
N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864239
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine
CID 115723735
3-ethoxy-N-(2-propylcyclopropyl)spiro[3.3]heptan-1-amine
CID 103921918
N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169614
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
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine (CID 65295084) is N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(NC2CCCC(C)C2C)C12CCC2.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is DOLHICIBQRKMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-19-16-11-15(17(16)9-6-10-17)18-14-8-5-7-12(2)13(14)3/h12-16,18H,4-11H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine?
N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).