4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol

C11H21NO — CID 91485538

IUPAC4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol
SMILESCC(C)C(C)CC12CCC(O)(C1)N2
InChIInChI=1S/C11H21NO/c1-8(2)9(3)6-10-4-5-11(13,7-10)12-10/h8-9,12-13H,4-7H2,1-3H3
InChIKeyKXTSKCHEIUAQQX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.88
Rot. Bonds3

About 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol

4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol (PubChem CID 91485538) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol.

Molecular Properties

Compound Name4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol
PubChem CID91485538
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol
SMILESCC(C)C(C)CC12CCC(O)(C1)N2
InChIInChI=1S/C11H21NO/c1-8(2)9(3)6-10-4-5-11(13,7-10)12-10/h8-9,12-13H,4-7H2,1-3H3
InChIKeyKXTSKCHEIUAQQX-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylbutyl)-1-propan-2-yloxycyclopropane
CID 123946271
4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine
CID 134373431
10-propan-2-ylspiro[4.5]decan-10-ol
CID 130592861
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
CID 158706350
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane
CID 123895340
1-[chloro(2-methylpropyl)amino]cyclopropan-1-ol
CID 134877679
4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol
CID 160600152
(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol
CID 79436006
5-(2,3-dimethylbutyl)pyrrolidin-2-one
CID 130635210

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol?
The IUPAC name of 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol (CID 91485538) is 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol.
What is the SMILES notation for 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol?
The canonical SMILES for 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol is CC(C)C(C)CC12CCC(O)(C1)N2.
What is the InChIKey of 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol?
The InChIKey is KXTSKCHEIUAQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)9(3)6-10-4-5-11(13,7-10)12-10/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol?
4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutyl)-5-azabicyclo[2.1.1]hexan-1-ol is sourced from PubChem (CID 91485538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).