(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol

C11H22N2O — CID 104868776

IUPAC(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC1CN2CCC1CC2
InChIInChI=1S/C11H22N2O/c1-2-10(8-14)12-11-7-13-5-3-9(11)4-6-13/h9-12,14H,2-8H2,1H3/t10-,11?/m1/s1
InChIKeyHKGHLUIBBOBRHD-NFJWQWPMSA-N
MW198.31 g/mol
LogP0.44
Rot. Bonds4

About (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol

(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol (PubChem CID 104868776) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol
PubChem CID104868776
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC1CN2CCC1CC2
InChIInChI=1S/C11H22N2O/c1-2-10(8-14)12-11-7-13-5-3-9(11)4-6-13/h9-12,14H,2-8H2,1H3/t10-,11?/m1/s1
InChIKeyHKGHLUIBBOBRHD-NFJWQWPMSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 43195141
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
2-(1-azabicyclo[2.2.2]octan-3-ylamino)pentanoic acid
CID 65055562
(2R)-2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 98119446
(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 124526679
2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 61471660
2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol
CID 115883452
2-[(1-cyclopropylpyrrolidin-3-yl)amino]butan-1-ol
CID 62981103
2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79724018
(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 104980875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol?
The IUPAC name of (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol (CID 104868776) is (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol is CC[C@H](CO)NC1CN2CCC1CC2.
What is the InChIKey of (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol?
The InChIKey is HKGHLUIBBOBRHD-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-10(8-14)12-11-7-13-5-3-9(11)4-6-13/h9-12,14H,2-8H2,1H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol?
(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol is sourced from PubChem (CID 104868776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).