1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol

C17H37NO3 — CID 141189179

IUPAC1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol
SMILESCCCCCCCCCCCCOC(O)(CC)NCCO
InChIInChI=1S/C17H37NO3/c1-3-5-6-7-8-9-10-11-12-13-16-21-17(20,4-2)18-14-15-19/h18-20H,3-16H2,1-2H3
InChIKeyZWWDRKBDRAMHAH-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.56
Rot. Bonds16

About 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol

1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol (PubChem CID 141189179) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol.

Molecular Properties

Compound Name1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol
PubChem CID141189179
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Name1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol
SMILESCCCCCCCCCCCCOC(O)(CC)NCCO
InChIInChI=1S/C17H37NO3/c1-3-5-6-7-8-9-10-11-12-13-16-21-17(20,4-2)18-14-15-19/h18-20H,3-16H2,1-2H3
InChIKeyZWWDRKBDRAMHAH-UHFFFAOYSA-N
XLogP3.56
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
CID 19798932
2,3,16-trihydroxy-N-(1-hydroxy-1-tetradecoxypropyl)hexadecanamide
CID 22496662
2-hexoxypropane-1,2-diol
CID 87299743
azane;2-dodecoxypropan-2-ol
CID 87960511
2-dodecoxy-2-methyltetradecane
CID 158074564
2-decoxy-2-methylbutan-1-ol
CID 152517276
1-amino-2-ethyl-2-octadecoxyoctadecane-1,1-diol
CID 88619037
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
10-decoxy-10-nonylnonadecane
CID 150430521
1,1-bis(octylamino)ethanol
CID 87347011
1,1-didodecoxypropane-1,2,3-triol
CID 139979084
1,1-di(undecoxy)propane-1,2,3-triol
CID 139663662

Frequently Asked Questions

What is the IUPAC name of 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol?
The IUPAC name of 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol (CID 141189179) is 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol.
What is the SMILES notation for 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol?
The canonical SMILES for 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol is CCCCCCCCCCCCOC(O)(CC)NCCO.
What is the InChIKey of 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol?
The InChIKey is ZWWDRKBDRAMHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3/c1-3-5-6-7-8-9-10-11-12-13-16-21-17(20,4-2)18-14-15-19/h18-20H,3-16H2,1-2H3.
What are the key properties of 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol?
1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol has a molecular weight of 303.49 g/mol, XLogP of 3.56, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol is sourced from PubChem (CID 141189179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).