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

C13H27NO2 — CID 115252169

IUPAC3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
SMILESCC(C)C(CO)CN(C)CC1CCOCC1
InChIInChI=1S/C13H27NO2/c1-11(2)13(10-15)9-14(3)8-12-4-6-16-7-5-12/h11-13,15H,4-10H2,1-3H3
InChIKeyPXJFVPHVBYZTMF-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.61
Rot. Bonds6

About 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol

3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol (PubChem CID 115252169) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
PubChem CID115252169
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
SMILESCC(C)C(CO)CN(C)CC1CCOCC1
InChIInChI=1S/C13H27NO2/c1-11(2)13(10-15)9-14(3)8-12-4-6-16-7-5-12/h11-13,15H,4-10H2,1-3H3
InChIKeyPXJFVPHVBYZTMF-UHFFFAOYSA-N
XLogP1.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butanenitrile
CID 115254595
1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 104752909
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
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
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 63707559
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63711617
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 55227210

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol (CID 115252169) is 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol is CC(C)C(CO)CN(C)CC1CCOCC1.
What is the InChIKey of 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol?
The InChIKey is PXJFVPHVBYZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)13(10-15)9-14(3)8-12-4-6-16-7-5-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol?
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115252169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).