1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C17H31NO3 — CID 106989011

IUPAC1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO3/c1-12(10-20-2)21-11-16(19)9-18-17-6-13-3-14(7-17)5-15(4-13)8-17/h12-16,18-19H,3-11H2,1-2H3
InChIKeyWRHDVQRYEOEBFS-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.96
Rot. Bonds8

About 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989011) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989011
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO3/c1-12(10-20-2)21-11-16(19)9-18-17-6-13-3-14(7-17)5-15(4-13)8-17/h12-16,18-19H,3-11H2,1-2H3
InChIKeyWRHDVQRYEOEBFS-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 106990337
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
CID 106991512
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(1-adamantylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 132585829
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990157
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964
1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989604
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
CID 132585840

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989011) is 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is WRHDVQRYEOEBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-12(10-20-2)21-11-16(19)9-18-17-6-13-3-14(7-17)5-15(4-13)8-17/h12-16,18-19H,3-11H2,1-2H3.
What are the key properties of 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 297.44 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).