3-[cyclobutyl(3-hydroxypropyl)amino]propanal

C10H19NO2 — CID 102864313

IUPAC3-[cyclobutyl(3-hydroxypropyl)amino]propanal
SMILESO=CCCN(CCCO)C1CCC1
InChIInChI=1S/C10H19NO2/c12-8-2-6-11(7-3-9-13)10-4-1-5-10/h8,10,13H,1-7,9H2
InChIKeyNXSLPGFYNZQVQW-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.81
Rot. Bonds7

About 3-[cyclobutyl(3-hydroxypropyl)amino]propanal

3-[cyclobutyl(3-hydroxypropyl)amino]propanal (PubChem CID 102864313) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)amino]propanal.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)amino]propanal
PubChem CID102864313
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)amino]propanal
SMILESO=CCCN(CCCO)C1CCC1
InChIInChI=1S/C10H19NO2/c12-8-2-6-11(7-3-9-13)10-4-1-5-10/h8,10,13H,1-7,9H2
InChIKeyNXSLPGFYNZQVQW-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
CID 149151262
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol
CID 102869386
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide
CID 102873673
6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol
CID 158863478
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
CID 149152663

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]propanal?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]propanal (CID 102864313) is 3-[cyclobutyl(3-hydroxypropyl)amino]propanal.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)amino]propanal?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)amino]propanal is O=CCCN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)amino]propanal?
The InChIKey is NXSLPGFYNZQVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-8-2-6-11(7-3-9-13)10-4-1-5-10/h8,10,13H,1-7,9H2.
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)amino]propanal?
3-[cyclobutyl(3-hydroxypropyl)amino]propanal has a molecular weight of 185.27 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)amino]propanal is sourced from PubChem (CID 102864313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).