2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol

C11H23NO2 — CID 115907690

IUPAC2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
SMILESCC(CO)C(C)NCC1CCCOC1
InChIInChI=1S/C11H23NO2/c1-9(7-13)10(2)12-6-11-4-3-5-14-8-11/h9-13H,3-8H2,1-2H3
InChIKeySHGIUENQMZJAEE-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.02
Rot. Bonds5

About 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol

2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol (PubChem CID 115907690) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
PubChem CID115907690
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
SMILESCC(CO)C(C)NCC1CCCOC1
InChIInChI=1S/C11H23NO2/c1-9(7-13)10(2)12-6-11-4-3-5-14-8-11/h9-13H,3-8H2,1-2H3
InChIKeySHGIUENQMZJAEE-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
4-methyl-N-(oxan-3-ylmethyl)pentan-2-amine
CID 61020127
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine
CID 61020377
methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
CID 63739850
4,4,4-trifluoro-N-(oxan-3-ylmethyl)butan-2-amine
CID 103778206
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939
N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
CID 77031801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol?
The IUPAC name of 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol (CID 115907690) is 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol is CC(CO)C(C)NCC1CCCOC1.
What is the InChIKey of 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol?
The InChIKey is SHGIUENQMZJAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(7-13)10(2)12-6-11-4-3-5-14-8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol?
2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol is sourced from PubChem (CID 115907690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).