3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol

C13H27NO2 — CID 115727563

IUPAC3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNC(CC)C1CCOC1
InChIInChI=1S/C13H27NO2/c1-3-11(5-7-15)9-14-13(4-2)12-6-8-16-10-12/h11-15H,3-10H2,1-2H3
InChIKeySLIOPKSMYXYGFK-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds8

About 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol

3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol (PubChem CID 115727563) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
PubChem CID115727563
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNC(CC)C1CCOC1
InChIInChI=1S/C13H27NO2/c1-3-11(5-7-15)9-14-13(4-2)12-6-8-16-10-12/h11-15H,3-10H2,1-2H3
InChIKeySLIOPKSMYXYGFK-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
1-(dimethylamino)-3-[1-(oxolan-3-yl)propylamino]propan-2-ol
CID 115718079
3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol
CID 115726083
2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
CID 115894970
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
[3-ethyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 105229503
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol
CID 115921108
2-[[1-(oxolan-3-yl)propylamino]methyl]cyclopentan-1-ol
CID 115724703
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol?
The IUPAC name of 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol (CID 115727563) is 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol is CCC(CCO)CNC(CC)C1CCOC1.
What is the InChIKey of 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol?
The InChIKey is SLIOPKSMYXYGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-11(5-7-15)9-14-13(4-2)12-6-8-16-10-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol?
3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol is sourced from PubChem (CID 115727563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).