3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol

C13H27NO2 — CID 115763283

IUPAC3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
SMILESCCC(C)(CNCC1CCOCC1)C(C)O
InChIInChI=1S/C13H27NO2/c1-4-13(3,11(2)15)10-14-9-12-5-7-16-8-6-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyFODYMWHGJMLVQJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds6

About 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol

3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol (PubChem CID 115763283) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
PubChem CID115763283
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
SMILESCCC(C)(CNCC1CCOCC1)C(C)O
InChIInChI=1S/C13H27NO2/c1-4-13(3,11(2)15)10-14-9-12-5-7-16-8-6-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyFODYMWHGJMLVQJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(oxan-4-ylmethylamino)propanenitrile
CID 104587192
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
CID 115749017
3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
CID 116751875
methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
CID 104644498
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
1-(oxan-4-ylmethylamino)pentan-2-ol
CID 115685627
3-[(oxolan-3-ylmethylamino)methyl]pentan-3-ol
CID 65105346
2-ethoxy-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 114941316
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol?
The IUPAC name of 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol (CID 115763283) is 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol.
What is the SMILES notation for 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol?
The canonical SMILES for 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol is CCC(C)(CNCC1CCOCC1)C(C)O.
What is the InChIKey of 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol?
The InChIKey is FODYMWHGJMLVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-13(3,11(2)15)10-14-9-12-5-7-16-8-6-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol?
3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol is sourced from PubChem (CID 115763283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).