3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol

C16H33NO2 — CID 57115712

IUPAC3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCCO
InChIInChI=1S/C16H33NO2/c1-13(2)15-7-6-14(3)12-16(15)19-11-9-17(4)8-5-10-18/h13-16,18H,5-12H2,1-4H3/t14-,15+,16-/m1/s1
InChIKeyCVGGBSKAYBIXRZ-OWCLPIDISA-N
MW271.44 g/mol
LogP2.78
Rot. Bonds8

About 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol

3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol (PubChem CID 57115712) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol
PubChem CID57115712
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCCO
InChIInChI=1S/C16H33NO2/c1-13(2)15-7-6-14(3)12-16(15)19-11-9-17(4)8-5-10-18/h13-16,18H,5-12H2,1-4H3/t14-,15+,16-/m1/s1
InChIKeyCVGGBSKAYBIXRZ-OWCLPIDISA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol (CID 57115712) is 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCCO.
What is the InChIKey of 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol?
The InChIKey is CVGGBSKAYBIXRZ-OWCLPIDISA-N. The full InChI is InChI=1S/C16H33NO2/c1-13(2)15-7-6-14(3)12-16(15)19-11-9-17(4)8-5-10-18/h13-16,18H,5-12H2,1-4H3/t14-,15+,16-/m1/s1.
What are the key properties of 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol?
3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol has a molecular weight of 271.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol is sourced from PubChem (CID 57115712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).