4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine

C13H25NO3 — CID 155021500

IUPAC4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine
SMILESCCO[C@H]1COCC1OCC1CCC(N)CC1
InChIInChI=1S/C13H25NO3/c1-2-16-12-8-15-9-13(12)17-7-10-3-5-11(14)6-4-10/h10-13H,2-9,14H2,1H3/t10?,11?,12-,13?/m0/s1
InChIKeyXCZNPSWHGFTQDI-ARAJFMJPSA-N
MW243.35 g/mol
LogP1.32
Rot. Bonds5

About 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine

4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine (PubChem CID 155021500) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine
PubChem CID155021500
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine
SMILESCCO[C@H]1COCC1OCC1CCC(N)CC1
InChIInChI=1S/C13H25NO3/c1-2-16-12-8-15-9-13(12)17-7-10-3-5-11(14)6-4-10/h10-13H,2-9,14H2,1H3/t10?,11?,12-,13?/m0/s1
InChIKeyXCZNPSWHGFTQDI-ARAJFMJPSA-N
XLogP1.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine (CID 155021500) is 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine is CCO[C@H]1COCC1OCC1CCC(N)CC1.
What is the InChIKey of 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine?
The InChIKey is XCZNPSWHGFTQDI-ARAJFMJPSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-16-12-8-15-9-13(12)17-7-10-3-5-11(14)6-4-10/h10-13H,2-9,14H2,1H3/t10?,11?,12-,13?/m0/s1.
What are the key properties of 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine?
4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 155021500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).