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

C16H29NOS — CID 103921430

IUPAC3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC2CCCC(SC)C2)C12CCC2
InChIInChI=1S/C16H29NOS/c1-3-18-15-11-14(16(15)8-5-9-16)17-12-6-4-7-13(10-12)19-2/h12-15,17H,3-11H2,1-2H3
InChIKeyXZMPVZXUSIOWGE-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.60
Rot. Bonds5

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

3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine (PubChem CID 103921430) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
PubChem CID103921430
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC2CCCC(SC)C2)C12CCC2
InChIInChI=1S/C16H29NOS/c1-3-18-15-11-14(16(15)8-5-9-16)17-12-6-4-7-13(10-12)19-2/h12-15,17H,3-11H2,1-2H3
InChIKeyXZMPVZXUSIOWGE-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
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-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine
CID 97052854
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propan-2-ylpiperidin-4-amine
CID 64864609
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine
CID 103910972
(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 100627103
(3R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 99630641
3-ethoxy-N-(2-ethylcyclohexyl)spiro[3.3]heptan-1-amine
CID 65295050

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine (CID 103921430) is 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine is CCOC1CC(NC2CCCC(SC)C2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine?
The InChIKey is XZMPVZXUSIOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-3-18-15-11-14(16(15)8-5-9-16)17-12-6-4-7-13(10-12)19-2/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 103921430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).