(3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine

C12H23NO2 — CID 58035136

IUPAC(3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine
SMILESCO[C@H]1COCC[C@H]1NC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-14-12-9-15-8-7-11(12)13-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3/t11-,12+/m1/s1
InChIKeyDFIWMOPGQBGXRQ-NEPJUHHUSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds3

About (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine

(3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine (PubChem CID 58035136) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine.

Molecular Properties

Compound Name(3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine
PubChem CID58035136
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine
SMILESCO[C@H]1COCC[C@H]1NC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-14-12-9-15-8-7-11(12)13-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3/t11-,12+/m1/s1
InChIKeyDFIWMOPGQBGXRQ-NEPJUHHUSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-methyloxan-4-amine
CID 61755910
2-[1-(1-Fluorocyclohexyl)oxyethyl]morpholine
CID 175482465
(Oxan-2-ylmethyl)(propan-2-yl)amine
CID 239652
2-(1-Methoxypropyl)morpholine
CID 19802917
1-Morpholin-2-ylbutan-2-amine
CID 21548164
(3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine
CID 58035108
N-cyclohexyl-3-methoxyoxan-4-amine
CID 58035115
N-[2-(2-methoxyethoxy)ethyl]cyclohexanamine
CID 61687389
cis-(3-Methoxy-tetrahydro-pyran-4-yl)-methyl-amine
CID 67314240
N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine
CID 68054405
N-(3-methoxyoxan-4-yl)-N-methylpiperidin-4-amine
CID 68054412
(3R)-N-butyl-3-methoxyoxan-4-amine
CID 68171669

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine?
The IUPAC name of (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine (CID 58035136) is (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine.
What is the SMILES notation for (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine?
The canonical SMILES for (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine is CO[C@H]1COCC[C@H]1NC1CCCCC1.
What is the InChIKey of (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine?
The InChIKey is DFIWMOPGQBGXRQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-12-9-15-8-7-11(12)13-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine?
(3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclohexyl-3-methoxyoxan-4-amine is sourced from PubChem (CID 58035136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).