[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol

C16H32N2O2 — CID 79634551

IUPAC[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N2CC(C)OC(C)C2)C1
InChIInChI=1S/C16H32N2O2/c1-4-8-17-16(12-19)7-5-6-15(9-16)18-10-13(2)20-14(3)11-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyIAOMZVQXFNKAQT-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.77
Rot. Bonds5

About [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol

[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol (PubChem CID 79634551) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
PubChem CID79634551
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N2CC(C)OC(C)C2)C1
InChIInChI=1S/C16H32N2O2/c1-4-8-17-16(12-19)7-5-6-15(9-16)18-10-13(2)20-14(3)11-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyIAOMZVQXFNKAQT-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79635833
[1-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79647005
[3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexyl]methanol
CID 79640098
[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641045
[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79657020
[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641286
[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol
CID 79635369
[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol
CID 79638462
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79640385
[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79647288

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol (CID 79634551) is [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(N2CC(C)OC(C)C2)C1.
What is the InChIKey of [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is IAOMZVQXFNKAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-8-17-16(12-19)7-5-6-15(9-16)18-10-13(2)20-14(3)11-18/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol?
[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 284.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79634551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).