tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium

C17H36NO2+ — CID 7058387

IUPACtert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+]C(C)(C)C
InChIInChI=1S/C17H35NO2/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6/h12-16,18-19H,7-11H2,1-6H3/p+1/t13-,14-,15-,16-/m1/s1
InChIKeyURMJPEDTGXJUMD-KLHDSHLOSA-O
MW286.48 g/mol
LogP2.19
Rot. Bonds6

About tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium

tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium (PubChem CID 7058387) has the molecular formula C17H36NO2+ and a molecular weight of 286.48 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium
PubChem CID7058387
Molecular FormulaC17H36NO2+
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Nametert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+]C(C)(C)C
InChIInChI=1S/C17H35NO2/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6/h12-16,18-19H,7-11H2,1-6H3/p+1/t13-,14-,15-,16-/m1/s1
InChIKeyURMJPEDTGXJUMD-KLHDSHLOSA-O
XLogP2.19
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

diethyl-[(2S)-2-hydroxy-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]-methylazanium
CID 124768566
(2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 11869272
1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
CID 3415162
(Z)-but-2-enedioic acid;1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
CID 20840940
(2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
CID 7058396
1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride
CID 21237566
(2R)-1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
CID 7058398
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium?
The IUPAC name of tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium (CID 7058387) is tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium.
What is the SMILES notation for tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium?
The canonical SMILES for tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium is CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+]C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium?
The InChIKey is URMJPEDTGXJUMD-KLHDSHLOSA-O. The full InChI is InChI=1S/C17H35NO2/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6/h12-16,18-19H,7-11H2,1-6H3/p+1/t13-,14-,15-,16-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium?
tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium has a molecular weight of 286.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium is sourced from PubChem (CID 7058387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).