1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol

C16H31NO3 — CID 61040454

IUPAC1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCC1CCC(OCC(O)CNCCC2CCCO2)CC1
InChIInChI=1S/C16H31NO3/c1-13-4-6-16(7-5-13)20-12-14(18)11-17-9-8-15-3-2-10-19-15/h13-18H,2-12H2,1H3
InChIKeyPBNLIDQWLNOJOV-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.10
Rot. Bonds8

About 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol

1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol (PubChem CID 61040454) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
PubChem CID61040454
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCC1CCC(OCC(O)CNCCC2CCCO2)CC1
InChIInChI=1S/C16H31NO3/c1-13-4-6-16(7-5-13)20-12-14(18)11-17-9-8-15-3-2-10-19-15/h13-18H,2-12H2,1H3
InChIKeyPBNLIDQWLNOJOV-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455
(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
CID 61141174
1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60633578
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol
CID 107152092
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61038865
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol (CID 61040454) is 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol is CC1CCC(OCC(O)CNCCC2CCCO2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The InChIKey is PBNLIDQWLNOJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-13-4-6-16(7-5-13)20-12-14(18)11-17-9-8-15-3-2-10-19-15/h13-18H,2-12H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 61040454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).