(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine

C15H27NO2 — CID 100627103

IUPAC(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
SMILESCCO[C@@H]1C[C@@H](N[C@H]2CCOC2)C12CCCCC2
InChIInChI=1S/C15H27NO2/c1-2-18-14-10-13(16-12-6-9-17-11-12)15(14)7-4-3-5-8-15/h12-14,16H,2-11H2,1H3/t12-,13+,14+/m0/s1
InChIKeyGKRIWSMPVXEAOW-BFHYXJOUSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds4

About (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine

(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine (PubChem CID 100627103) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
PubChem CID100627103
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
SMILESCCO[C@@H]1C[C@@H](N[C@H]2CCOC2)C12CCCCC2
InChIInChI=1S/C15H27NO2/c1-2-18-14-10-13(16-12-6-9-17-11-12)15(14)7-4-3-5-8-15/h12-14,16H,2-11H2,1H3/t12-,13+,14+/m0/s1
InChIKeyGKRIWSMPVXEAOW-BFHYXJOUSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 99630641
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-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine
CID 103910972
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
1-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-3-(oxan-4-yl)guanidine
CID 119162038
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819
N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169614
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propan-2-ylpiperidin-4-amine
CID 64864609
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine?
The IUPAC name of (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine (CID 100627103) is (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine is CCO[C@@H]1C[C@@H](N[C@H]2CCOC2)C12CCCCC2.
What is the InChIKey of (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine?
The InChIKey is GKRIWSMPVXEAOW-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-18-14-10-13(16-12-6-9-17-11-12)15(14)7-4-3-5-8-15/h12-14,16H,2-11H2,1H3/t12-,13+,14+/m0/s1.
What are the key properties of (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine?
(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine is sourced from PubChem (CID 100627103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).