(3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine

C12H23NO2 — CID 158173740

IUPAC(3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine
SMILESCC1CC(OCC[C@@H]2CC[C@@H](N)CO2)C1
InChIInChI=1S/C12H23NO2/c1-9-6-12(7-9)14-5-4-11-3-2-10(13)8-15-11/h9-12H,2-8,13H2,1H3/t9?,10-,11+,12?/m1/s1
InChIKeyKDVCUQTWNDXQHY-UPOSSJBDSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds4

About (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine

(3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine (PubChem CID 158173740) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine
PubChem CID158173740
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine
SMILESCC1CC(OCC[C@@H]2CC[C@@H](N)CO2)C1
InChIInChI=1S/C12H23NO2/c1-9-6-12(7-9)14-5-4-11-3-2-10(13)8-15-11/h9-12H,2-8,13H2,1H3/t9?,10-,11+,12?/m1/s1
InChIKeyKDVCUQTWNDXQHY-UPOSSJBDSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,5R)-5-aminooxan-2-yl]ethanol
CID 89051551
6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 132585345
(3R,6S)-6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 89051604
(3S)-6-(aminomethyl)oxan-3-amine
CID 89349437
(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine
CID 141449393
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
CID 123400245
5-ethyloxolan-3-amine
CID 89032290
(3S,5S)-5-(methoxymethyl)oxolan-3-amine
CID 131220331
(3S)-6-(2-methyliminoethyl)oxan-3-amine
CID 174328015
(3S,6R)-6-methyloxan-3-amine
CID 130197714
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride
CID 134283511
(4R)-2-(2-methoxyethyl)-4-methyloxolane
CID 145228460

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine?
The IUPAC name of (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine (CID 158173740) is (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine?
The canonical SMILES for (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine is CC1CC(OCC[C@@H]2CC[C@@H](N)CO2)C1.
What is the InChIKey of (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine?
The InChIKey is KDVCUQTWNDXQHY-UPOSSJBDSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-12(7-9)14-5-4-11-3-2-10(13)8-15-11/h9-12H,2-8,13H2,1H3/t9?,10-,11+,12?/m1/s1.
What are the key properties of (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine?
(3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine is sourced from PubChem (CID 158173740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).