1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol

C13H27NO3 — CID 60634608

IUPAC1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC(O)CNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C13H27NO3/c1-10-4-3-5-13(6-10)17-9-12(16)8-14-7-11(2)15/h10-16H,3-9H2,1-2H3
InChIKeyPDXKVUJMLCWHDG-UHFFFAOYSA-N
MW245.36 g/mol
LogP0.91
Rot. Bonds7

About 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol

1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60634608) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID60634608
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC(O)CNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C13H27NO3/c1-10-4-3-5-13(6-10)17-9-12(16)8-14-7-11(2)15/h10-16H,3-9H2,1-2H3
InChIKeyPDXKVUJMLCWHDG-UHFFFAOYSA-N
XLogP0.91
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 60634608) is 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol is CC(O)CNCC(O)COC1CCCC(C)C1.
What is the InChIKey of 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is PDXKVUJMLCWHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-10-4-3-5-13(6-10)17-9-12(16)8-14-7-11(2)15/h10-16H,3-9H2,1-2H3.
What are the key properties of 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 245.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60634608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).