3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol

C15H32N2O2 — CID 149151262

IUPAC3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
SMILESOCCCNCCCN(CCCO)C1CCCCC1
InChIInChI=1S/C15H32N2O2/c18-13-5-10-16-9-4-11-17(12-6-14-19)15-7-2-1-3-8-15/h15-16,18-19H,1-14H2
InChIKeyFQLUUDFNHNYCFO-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.37
Rot. Bonds11

About 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol

3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol (PubChem CID 149151262) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
PubChem CID149151262
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
SMILESOCCCNCCCN(CCCO)C1CCCCC1
InChIInChI=1S/C15H32N2O2/c18-13-5-10-16-9-4-11-17(12-6-14-19)15-7-2-1-3-8-15/h15-16,18-19H,1-14H2
InChIKeyFQLUUDFNHNYCFO-UHFFFAOYSA-N
XLogP1.37
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.37
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

3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
CID 149152663
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
3-[cyclobutyl(3-hydroxypropyl)amino]propanal
CID 102864313
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol
CID 102869386
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol?
The IUPAC name of 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol (CID 149151262) is 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol.
What is the SMILES notation for 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol?
The canonical SMILES for 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol is OCCCNCCCN(CCCO)C1CCCCC1.
What is the InChIKey of 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol?
The InChIKey is FQLUUDFNHNYCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c18-13-5-10-16-9-4-11-17(12-6-14-19)15-7-2-1-3-8-15/h15-16,18-19H,1-14H2.
What are the key properties of 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol?
3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 1.37, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol is sourced from PubChem (CID 149151262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).