[(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium

C14H30NO3+ — CID 140917621

IUPAC[(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC1CCC(OC[C@H](O)C[NH2+]C(C)(C)CO)CC1
InChIInChI=1S/C14H29NO3/c1-11-4-6-13(7-5-11)18-9-12(17)8-15-14(2,3)10-16/h11-13,15-17H,4-10H2,1-3H3/p+1/t11?,12-,13?/m1/s1
InChIKeySEQHLXGKFYPUTM-OTTFEQOBSA-O
MW260.40 g/mol
LogP0.28
Rot. Bonds7

About [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium

[(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium (PubChem CID 140917621) has the molecular formula C14H30NO3+ and a molecular weight of 260.40 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium
PubChem CID140917621
Molecular FormulaC14H30NO3+
Molecular Weight260.40 g/mol
Exact Mass260.22
IUPAC Name[(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC1CCC(OC[C@H](O)C[NH2+]C(C)(C)CO)CC1
InChIInChI=1S/C14H29NO3/c1-11-4-6-13(7-5-11)18-9-12(17)8-15-14(2,3)10-16/h11-13,15-17H,4-10H2,1-3H3/p+1/t11?,12-,13?/m1/s1
InChIKeySEQHLXGKFYPUTM-OTTFEQOBSA-O
XLogP0.28
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Tert-butylamino)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol hydrochloride
CID 2892936
1-(2-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 55173979
1-(2-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632467
1-(4-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632509
1-(3-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632593
1-(4-Methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729481
1-(4-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-(3-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226774
1,1,1-Trifluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105644839
1,1,1-Trifluoro-3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105644912
1,1,1-Trifluoro-3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105645013
1,1-Difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105645263

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium?
The IUPAC name of [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium (CID 140917621) is [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium?
The canonical SMILES for [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium is CC1CCC(OC[C@H](O)C[NH2+]C(C)(C)CO)CC1.
What is the InChIKey of [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium?
The InChIKey is SEQHLXGKFYPUTM-OTTFEQOBSA-O. The full InChI is InChI=1S/C14H29NO3/c1-11-4-6-13(7-5-11)18-9-12(17)8-15-14(2,3)10-16/h11-13,15-17H,4-10H2,1-3H3/p+1/t11?,12-,13?/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium?
[(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium has a molecular weight of 260.40 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium is sourced from PubChem (CID 140917621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).