2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol

C12H23NO2 — CID 66371587

IUPAC2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
SMILESCCC(C)(CO)CN1CC2CCC(C1)O2
InChIInChI=1S/C12H23NO2/c1-3-12(2,9-14)8-13-6-10-4-5-11(7-13)15-10/h10-11,14H,3-9H2,1-2H3
InChIKeySFTCYVOGIFENBM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol

2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol (PubChem CID 66371587) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
PubChem CID66371587
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
SMILESCCC(C)(CO)CN1CC2CCC(C1)O2
InChIInChI=1S/C12H23NO2/c1-3-12(2,9-14)8-13-6-10-4-5-11(7-13)15-10/h10-11,14H,3-9H2,1-2H3
InChIKeySFTCYVOGIFENBM-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62265497
methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66371565
2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol
CID 102967560
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal
CID 66371570
2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
CID 66369812
N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine
CID 66371193
2-methyl-2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66371756
2-methyl-2-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 66372029
2-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methylbutan-1-ol
CID 62272394
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
2-(cyclopropylamino)-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 66369677
2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol?
The IUPAC name of 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol (CID 66371587) is 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol?
The canonical SMILES for 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol is CCC(C)(CO)CN1CC2CCC(C1)O2.
What is the InChIKey of 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol?
The InChIKey is SFTCYVOGIFENBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(2,9-14)8-13-6-10-4-5-11(7-13)15-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol?
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol is sourced from PubChem (CID 66371587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).