2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol

C13H27NO2 — CID 115728890

IUPAC2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol
SMILESCCC(NCC1(CCO)CCOC1)C(C)C
InChIInChI=1S/C13H27NO2/c1-4-12(11(2)3)14-9-13(5-7-15)6-8-16-10-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyZPLJDKQKAYDNQT-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds7

About 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol

2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol (PubChem CID 115728890) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol
PubChem CID115728890
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol
SMILESCCC(NCC1(CCO)CCOC1)C(C)C
InChIInChI=1S/C13H27NO2/c1-4-12(11(2)3)14-9-13(5-7-15)6-8-16-10-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyZPLJDKQKAYDNQT-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol
CID 115728891
2-[(3S)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol
CID 99822742
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
CID 65495825
[4-[[(3-methyl-1-phenylsulfanylbutan-2-yl)amino]methyl]oxan-4-yl]methanol
CID 110011255
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
2-[1-[(1-cyclopentylethylamino)methyl]cyclobutyl]ethanol
CID 115894754
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106729994
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol?
The IUPAC name of 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol (CID 115728890) is 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol?
The canonical SMILES for 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol is CCC(NCC1(CCO)CCOC1)C(C)C.
What is the InChIKey of 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol?
The InChIKey is ZPLJDKQKAYDNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-12(11(2)3)14-9-13(5-7-15)6-8-16-10-13/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol?
2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol is sourced from PubChem (CID 115728890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).