1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol

C16H33NO2 — CID 81395639

IUPAC1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CN[C@H](C)C1CCCC1
InChIInChI=1S/C16H33NO2/c1-3-4-5-8-11-19-13-16(18)12-17-14(2)15-9-6-7-10-15/h14-18H,3-13H2,1-2H3/t14-,16?/m1/s1
InChIKeyPLJWJHHBQODCDM-IURRXHLWSA-N
MW271.44 g/mol
LogP3.11
Rot. Bonds11

About 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol

1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol (PubChem CID 81395639) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
PubChem CID81395639
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CN[C@H](C)C1CCCC1
InChIInChI=1S/C16H33NO2/c1-3-4-5-8-11-19-13-16(18)12-17-14(2)15-9-6-7-10-15/h14-18H,3-13H2,1-2H3/t14-,16?/m1/s1
InChIKeyPLJWJHHBQODCDM-IURRXHLWSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 81393423
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
1-(2,3-dihexadecoxypropoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 23466152
2-[(2-hydroxy-3-octoxypropyl)amino]propane-1,3-diol
CID 65314677

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol?
The IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol (CID 81395639) is 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol is CCCCCCOCC(O)CN[C@H](C)C1CCCC1.
What is the InChIKey of 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol?
The InChIKey is PLJWJHHBQODCDM-IURRXHLWSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-4-5-8-11-19-13-16(18)12-17-14(2)15-9-6-7-10-15/h14-18H,3-13H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol?
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 3.11, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol is sourced from PubChem (CID 81395639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).