3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol

C12H25NO2 — CID 116960198

IUPAC3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol
SMILESCNC(C1CCOCC1)C(CO)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)11(8-14)12(13-3)10-4-6-15-7-5-10/h9-14H,4-8H2,1-3H3
InChIKeyFVPJPIOXBQYOAC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.27
Rot. Bonds5

About 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol

3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol (PubChem CID 116960198) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol
PubChem CID116960198
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol
SMILESCNC(C1CCOCC1)C(CO)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)11(8-14)12(13-3)10-4-6-15-7-5-10/h9-14H,4-8H2,1-3H3
InChIKeyFVPJPIOXBQYOAC-UHFFFAOYSA-N
XLogP1.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine
CID 115855960
2-amino-3-(methylamino)-3-(oxan-4-yl)propanoic acid
CID 116957433
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
(2S)-3-methyl-2-[1-(oxan-4-yl)propan-2-ylamino]butan-1-ol
CID 103788127
1-cyclobutyl-N,2,3-trimethylbutan-1-amine
CID 105049433
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
(1S)-1-(oxan-4-yl)-2-tri(propan-2-yl)silyloxyethanol
CID 168752161
2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
CID 115187200
2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
CID 62391437
2-[cyclopentyl(methylamino)methyl]butan-1-ol
CID 116959950
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol (CID 116960198) is 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol is CNC(C1CCOCC1)C(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol?
The InChIKey is FVPJPIOXBQYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)11(8-14)12(13-3)10-4-6-15-7-5-10/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol?
3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol is sourced from PubChem (CID 116960198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).