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

C17H29NO6 — CID 5275361

IUPAC3-(cyclopropylamino)-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)NC3CC3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C17H29NO6/c1-16(2)21-12-11(10(7-8-19)18-9-5-6-9)20-15-14(13(12)22-16)23-17(3,4)24-15/h9-15,18-19H,5-8H2,1-4H3/t10?,11-,12?,13?,14?,15?/m1/s1
InChIKeyZXTQDDYIFGNLKY-AOAHJRJYSA-N
MW343.42 g/mol
LogP0.89
Rot. Bonds5

About 3-(cyclopropylamino)-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-(cyclopropylamino)-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 5275361) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(cyclopropylamino)-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-(cyclopropylamino)-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 CID5275361
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Name3-(cyclopropylamino)-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)NC3CC3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C17H29NO6/c1-16(2)21-12-11(10(7-8-19)18-9-5-6-9)20-15-14(13(12)22-16)23-17(3,4)24-15/h9-15,18-19H,5-8H2,1-4H3/t10?,11-,12?,13?,14?,15?/m1/s1
InChIKeyZXTQDDYIFGNLKY-AOAHJRJYSA-N
XLogP0.89
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(cyclopropylamino)-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,4S,5R,6S)-2-[(cyclopentylamino)methyl]-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
CID 16664887
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
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
3-(dodecylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275350
3-(dodecylamino)-3-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275351
3-(hexadecylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275352
3-(hexadecylamino)-3-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275353
3-Cyclohexylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 5275362
3-Heptylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 5275363
4',5'-d]Pyran-5-yl)-3-tridecylamino-propan-1-ol
CID 5275364

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-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-(cyclopropylamino)-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 5275361) is 3-(cyclopropylamino)-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-(cyclopropylamino)-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-(cyclopropylamino)-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)NC3CC3)C3OC(C)(C)OC3C2O1.
What is the InChIKey of 3-(cyclopropylamino)-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 ZXTQDDYIFGNLKY-AOAHJRJYSA-N. The full InChI is InChI=1S/C17H29NO6/c1-16(2)21-12-11(10(7-8-19)18-9-5-6-9)20-15-14(13(12)22-16)23-17(3,4)24-15/h9-15,18-19H,5-8H2,1-4H3/t10?,11-,12?,13?,14?,15?/m1/s1.
What are the key properties of 3-(cyclopropylamino)-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-(cyclopropylamino)-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 343.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-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 5275361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).