1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol

C20H41NO3 — CID 18980514

IUPAC1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)COCCCCCCCCCC1CCCCC1
InChIInChI=1S/C20H41NO3/c22-15-14-21-17-20(23)18-24-16-10-5-3-1-2-4-7-11-19-12-8-6-9-13-19/h19-23H,1-18H2
InChIKeyPEDLGOFPKVWTSI-UHFFFAOYSA-N
MW343.55 g/mol
LogP3.65
Rot. Bonds16

About 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol

1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol (PubChem CID 18980514) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol
PubChem CID18980514
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Name1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)COCCCCCCCCCC1CCCCC1
InChIInChI=1S/C20H41NO3/c22-15-14-21-17-20(23)18-24-16-10-5-3-1-2-4-7-11-19-12-8-6-9-13-19/h19-23H,1-18H2
InChIKeyPEDLGOFPKVWTSI-UHFFFAOYSA-N
XLogP3.65
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 209610
CID 209610
CID 86740
CID 86740
CID 2892936
CID 2892936
CID 2769745
CID 2769745
CID 2882066
CID 2882066
CID 209611
CID 209611
CID 511485
CID 511485
CID 2882067
CID 2882067
CID 6591527
CID 6591527
CID 22321191
CID 22321191
CID 55173979
CID 55173979
CID 60632467
CID 60632467

Frequently Asked Questions

What is the IUPAC name of 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol (CID 18980514) is 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol is OCCNCC(O)COCCCCCCCCCC1CCCCC1.
What is the InChIKey of 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The InChIKey is PEDLGOFPKVWTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c22-15-14-21-17-20(23)18-24-16-10-5-3-1-2-4-7-11-19-12-8-6-9-13-19/h19-23H,1-18H2.
What are the key properties of 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol?
1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol has a molecular weight of 343.55 g/mol, XLogP of 3.65, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 18980514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).