3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol

C13H25NO3 — CID 102848652

IUPAC3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol
SMILESOCCCN(CCC1OCCCO1)C1CCC1
InChIInChI=1S/C13H25NO3/c15-9-2-7-14(12-4-1-5-12)8-6-13-16-10-3-11-17-13/h12-13,15H,1-11H2
InChIKeySZDGRGUAFFXHAY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.38
Rot. Bonds7

About 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol

3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol (PubChem CID 102848652) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol
PubChem CID102848652
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol
SMILESOCCCN(CCC1OCCCO1)C1CCC1
InChIInChI=1S/C13H25NO3/c15-9-2-7-14(12-4-1-5-12)8-6-13-16-10-3-11-17-13/h12-13,15H,1-11H2
InChIKeySZDGRGUAFFXHAY-UHFFFAOYSA-N
XLogP1.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 111488864
3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol
CID 102869386
3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol
CID 102858494
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine
CID 66472718
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
2-[2-(1,3-dioxan-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol
CID 66472309
3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
CID 149151262
3-[cyclobutyl(3-hydroxypropyl)amino]propanal
CID 102864313
2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol
CID 66472112
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
CID 102860592

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol (CID 102848652) is 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol is OCCCN(CCC1OCCCO1)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol?
The InChIKey is SZDGRGUAFFXHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c15-9-2-7-14(12-4-1-5-12)8-6-13-16-10-3-11-17-13/h12-13,15H,1-11H2.
What are the key properties of 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol?
3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 102848652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).