3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol

C20H35NO6 — CID 5275362

IUPAC3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol
SMILESCC1(C)OC2O[C@H](C(CCO)NC3CCCCC3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C20H35NO6/c1-19(2)24-15-14(13(10-11-22)21-12-8-6-5-7-9-12)23-18-17(16(15)25-19)26-20(3,4)27-18/h12-18,21-22H,5-11H2,1-4H3/t13?,14-,15?,16?,17?,18?/m1/s1
InChIKeyZFQFBMOFDFNOAI-YWTTYQRVSA-N
MW385.50 g/mol
LogP2.06
Rot. Bonds5

About 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol

3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol (PubChem CID 5275362) has the molecular formula C20H35NO6 and a molecular weight of 385.50 g/mol. Its IUPAC name is 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol.

Molecular Properties

Compound Name3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol
PubChem CID5275362
Molecular FormulaC20H35NO6
Molecular Weight385.50 g/mol
Exact Mass385.25
IUPAC Name3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol
SMILESCC1(C)OC2O[C@H](C(CCO)NC3CCCCC3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C20H35NO6/c1-19(2)24-15-14(13(10-11-22)21-12-8-6-5-7-9-12)23-18-17(16(15)25-19)26-20(3,4)27-18/h12-18,21-22H,5-11H2,1-4H3/t13?,14-,15?,16?,17?,18?/m1/s1
InChIKeyZFQFBMOFDFNOAI-YWTTYQRVSA-N
XLogP2.06
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol with MolForge

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Related Compounds

(2R,3R,4R,5R)-2-[(1R)-5-[(5R,7R)-1,6-dioxaspiro[4.5]decan-7-yl]-1-hydroxypentyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 11233693
(2R,3R,4S,5R,6S)-2-[(cyclopentylamino)methyl]-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
CID 16664887
(2S,3S,4S,5S,6R)-2-((2R,3S,4S,5R,6R)-3,5-dihydroxy-2-((2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 10391299
Broussonetine G
CID 10338519
1-Dodecylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 516654
1-Hexadecylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 516655
2-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methylamino]ethanol
CID 17753664
1-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methylamino]dodecan-2-ol
CID 44437676
1-[(2S,3R,4R,5R,6R)-3-amino-6-(aminomethyl)-4,5-di(nonoxy)oxan-2-yl]oxy-3-(3-hydroxypropylamino)propan-2-ol
CID 134135369
(2R,3R,4R,5R)-2-[(1R)-5-(1,6-dioxaspiro[4.5]decan-7-yl)-1-hydroxypentyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 102120240
3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275348
3-(heptylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275349

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol?
The IUPAC name of 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol (CID 5275362) is 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol.
What is the SMILES notation for 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol?
The canonical SMILES for 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol is CC1(C)OC2O[C@H](C(CCO)NC3CCCCC3)C3OC(C)(C)OC3C2O1.
What is the InChIKey of 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol?
The InChIKey is ZFQFBMOFDFNOAI-YWTTYQRVSA-N. The full InChI is InChI=1S/C20H35NO6/c1-19(2)24-15-14(13(10-11-22)21-12-8-6-5-7-9-12)23-18-17(16(15)25-19)26-20(3,4)27-18/h12-18,21-22H,5-11H2,1-4H3/t13?,14-,15?,16?,17?,18?/m1/s1.
What are the key properties of 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol?
3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol has a molecular weight of 385.50 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol is sourced from PubChem (CID 5275362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).