1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol

C11H23NO2 — CID 63713835

IUPAC1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CC1CCOCC1
InChIInChI=1S/C11H23NO2/c1-3-11(13)9-12(2)8-10-4-6-14-7-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyBEHKTEOXBNRADN-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.12
Rot. Bonds5

About 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol

1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol (PubChem CID 63713835) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
PubChem CID63713835
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CC1CCOCC1
InChIInChI=1S/C11H23NO2/c1-3-11(13)9-12(2)8-10-4-6-14-7-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyBEHKTEOXBNRADN-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 104752909
1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 63707559
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
CID 63711106
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butanenitrile
CID 115254595
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol?
The IUPAC name of 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol (CID 63713835) is 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol is CCC(O)CN(C)CC1CCOCC1.
What is the InChIKey of 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol?
The InChIKey is BEHKTEOXBNRADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-11(13)9-12(2)8-10-4-6-14-7-5-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol?
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 63713835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).