3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane

C19H27NO3 — CID 155698850

IUPAC3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
SMILESCCC.O=CCCNCC(O)COc1cccc2ccccc12
InChIInChI=1S/C16H19NO3.C3H8/c18-10-4-9-17-11-14(19)12-20-16-8-3-6-13-5-1-2-7-15(13)16;1-3-2/h1-3,5-8,10,14,17,19H,4,9,11-12H2;3H2,1-2H3
InChIKeyOTRKXWPKPXESLG-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.17
Rot. Bonds8

About 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane

3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane (PubChem CID 155698850) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane.

Molecular Properties

Compound Name3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
PubChem CID155698850
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
SMILESCCC.O=CCCNCC(O)COc1cccc2ccccc12
InChIInChI=1S/C16H19NO3.C3H8/c18-10-4-9-17-11-14(19)12-20-16-8-3-6-13-5-1-2-7-15(13)16;1-3-2/h1-3,5-8,10,14,17,19H,4,9,11-12H2;3H2,1-2H3
InChIKeyOTRKXWPKPXESLG-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
CID 10066392
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane?
The IUPAC name of 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane (CID 155698850) is 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane.
What is the SMILES notation for 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane?
The canonical SMILES for 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane is CCC.O=CCCNCC(O)COc1cccc2ccccc12.
What is the InChIKey of 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane?
The InChIKey is OTRKXWPKPXESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.C3H8/c18-10-4-9-17-11-14(19)12-20-16-8-3-6-13-5-1-2-7-15(13)16;1-3-2/h1-3,5-8,10,14,17,19H,4,9,11-12H2;3H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane?
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane has a molecular weight of 317.43 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane is sourced from PubChem (CID 155698850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).