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

C13H27NO2 — CID 115921108

IUPAC3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol
SMILESCCC(NC(C)(CC)CCO)C1CCOC1
InChIInChI=1S/C13H27NO2/c1-4-12(11-6-9-16-10-11)14-13(3,5-2)7-8-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOYQAVAJNMTZSFP-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

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

3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol (PubChem CID 115921108) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol
PubChem CID115921108
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol
SMILESCCC(NC(C)(CC)CCO)C1CCOC1
InChIInChI=1S/C13H27NO2/c1-4-12(11-6-9-16-10-11)14-13(3,5-2)7-8-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOYQAVAJNMTZSFP-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
CID 115894970
3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
CID 115727563
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine
CID 115920350
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539
3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
CID 115921126
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
2-(dimethylamino)-2-ethyl-1-(oxolan-3-yl)butan-1-ol
CID 79061948
3-(1-cyclohexylpropylamino)-3-methylbutan-1-ol
CID 115920572
[3-ethyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 105229503
[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol
CID 103874731
N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
CID 104748957

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol (CID 115921108) is 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol is CCC(NC(C)(CC)CCO)C1CCOC1.
What is the InChIKey of 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol?
The InChIKey is OYQAVAJNMTZSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-12(11-6-9-16-10-11)14-13(3,5-2)7-8-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol?
3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol is sourced from PubChem (CID 115921108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).