(4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol

C15H30N2O3 — CID 22844607

IUPAC(4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
SMILESN[C@@H](CC1CCCCC1)C(O)C(O)CN1CCOCC1
InChIInChI=1S/C15H30N2O3/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17/h12-15,18-19H,1-11,16H2/t13-,14?,15?/m0/s1
InChIKeyNHDDZVQPIPEHDA-NFOMZHRRSA-N
MW286.42 g/mol
LogP0.34
Rot. Bonds6

About (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol

(4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol (PubChem CID 22844607) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol.

Molecular Properties

Compound Name(4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
PubChem CID22844607
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
SMILESN[C@@H](CC1CCCCC1)C(O)C(O)CN1CCOCC1
InChIInChI=1S/C15H30N2O3/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17/h12-15,18-19H,1-11,16H2/t13-,14?,15?/m0/s1
InChIKeyNHDDZVQPIPEHDA-NFOMZHRRSA-N
XLogP0.34
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol with MolForge

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Related Compounds

2-(Morpholin-3-yl)cyclohexan-1-ol
CID 121552285
4-Amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol
CID 54256197
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 57282119
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70047398
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70047402
(2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
CID 11033464
3,7,11-Trimethyl-1-(3-morpholin-4-ylpropylamino)dodecane-2,3-diol
CID 13933164
1-Cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
CID 17846827
1-Cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
CID 17846828
4-Amino-5-cyclohexyl-1-(dimethylamino)pentane-2,3-diol
CID 21571523
Amino-5-cyclohexyl-1-morpholino-2,3-pentanediol
CID 21571524
4-Amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
CID 22418882

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The IUPAC name of (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol (CID 22844607) is (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol.
What is the SMILES notation for (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The canonical SMILES for (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol is N[C@@H](CC1CCCCC1)C(O)C(O)CN1CCOCC1.
What is the InChIKey of (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The InChIKey is NHDDZVQPIPEHDA-NFOMZHRRSA-N. The full InChI is InChI=1S/C15H30N2O3/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17/h12-15,18-19H,1-11,16H2/t13-,14?,15?/m0/s1.
What are the key properties of (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
(4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol has a molecular weight of 286.42 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol is sourced from PubChem (CID 22844607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).