2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol

C12H25NO2 — CID 114495650

IUPAC2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
SMILESCCC(C)(O)CN(C)CC1CCCOC1
InChIInChI=1S/C12H25NO2/c1-4-12(2,14)10-13(3)8-11-6-5-7-15-9-11/h11,14H,4-10H2,1-3H3
InChIKeyRLAGHANBKATXKG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds5

About 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol

2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol (PubChem CID 114495650) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
PubChem CID114495650
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
SMILESCCC(C)(O)CN(C)CC1CCCOC1
InChIInChI=1S/C12H25NO2/c1-4-12(2,14)10-13(3)8-11-6-5-7-15-9-11/h11,14H,4-10H2,1-3H3
InChIKeyRLAGHANBKATXKG-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63712871
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 64789409
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol (CID 114495650) is 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol is CCC(C)(O)CN(C)CC1CCCOC1.
What is the InChIKey of 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol?
The InChIKey is RLAGHANBKATXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-12(2,14)10-13(3)8-11-6-5-7-15-9-11/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol?
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 114495650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).