(1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol

C12H21NO — CID 51893344

IUPAC(1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1(O)C[C@H]2CC[C@@H](C1)N2CC1CC1
InChIInChI=1S/C12H21NO/c1-12(14)6-10-4-5-11(7-12)13(10)8-9-2-3-9/h9-11,14H,2-8H2,1H3/t10-,11+,12?
InChIKeyTXVVJJVAFVKRIA-FOSCPWQOSA-N
MW195.31 g/mol
LogP1.77
Rot. Bonds2

About (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol

(1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 51893344) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID51893344
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1(O)C[C@H]2CC[C@@H](C1)N2CC1CC1
InChIInChI=1S/C12H21NO/c1-12(14)6-10-4-5-11(7-12)13(10)8-9-2-3-9/h9-11,14H,2-8H2,1H3/t10-,11+,12?
InChIKeyTXVVJJVAFVKRIA-FOSCPWQOSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 382572
(8-Methyl-8-azabicyclo(3.2.1)octan-3-yl)methanol
CID 22056633
8-Methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 61644733
1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol
CID 178006165
3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 535477
7-(4-Hydroxy-4-methylpentyl)-indolizidine
CID 171396605
3-(1,1-Difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol
CID 58123631
3-(Difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 80604649
8-(2-Fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130626379
3-(5-Fluoropentyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952244
3-(4-Fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952923
8-Methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964301

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 51893344) is (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol is CC1(O)C[C@H]2CC[C@@H](C1)N2CC1CC1.
What is the InChIKey of (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is TXVVJJVAFVKRIA-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(14)6-10-4-5-11(7-12)13(10)8-9-2-3-9/h9-11,14H,2-8H2,1H3/t10-,11+,12?.
What are the key properties of (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 51893344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).