(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine

C14H27NO2 — CID 124568299

IUPAC(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCCCOC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-12-14(8-11-16-12)15-9-5-10-17-13-6-3-2-4-7-13/h12-15H,2-11H2,1H3/t12-,14-/m1/s1
InChIKeyLUOQREUROWFXPD-TZMCWYRMSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds6

About (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine

(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine (PubChem CID 124568299) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
PubChem CID124568299
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCCCOC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-12-14(8-11-16-12)15-9-5-10-17-13-6-3-2-4-7-13/h12-15H,2-11H2,1H3/t12-,14-/m1/s1
InChIKeyLUOQREUROWFXPD-TZMCWYRMSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
CID 113289548
N-(2-cyclopentyloxyethyl)-2-methyloxolan-3-amine
CID 115336994
(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 97358081
N-(3-cyclohexyloxypropyl)-2-methylcyclopentan-1-amine
CID 65046770
2-methyl-N-(3-propoxypropyl)oxolan-3-amine
CID 82940328
N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine
CID 64776416
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine
CID 43770852
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
3-cyclopentyloxy-N-methylpropan-1-amine
CID 62444438

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine (CID 124568299) is (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine is C[C@H]1OCC[C@H]1NCCCOC1CCCCC1.
What is the InChIKey of (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine?
The InChIKey is LUOQREUROWFXPD-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-14(8-11-16-12)15-9-5-10-17-13-6-3-2-4-7-13/h12-15H,2-11H2,1H3/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine?
(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine has a molecular weight of 241.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 124568299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).