(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol

C12H21NO — CID 69428713

IUPAC(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol
SMILESCN1C2CCC1C(CO)C(C1CC1)C2
InChIInChI=1S/C12H21NO/c1-13-9-4-5-12(13)11(7-14)10(6-9)8-2-3-8/h8-12,14H,2-7H2,1H3
InChIKeyNRMSOIDYHCULNS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds2

About (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol

(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol (PubChem CID 69428713) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol
PubChem CID69428713
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol
SMILESCN1C2CCC1C(CO)C(C1CC1)C2
InChIInChI=1S/C12H21NO/c1-13-9-4-5-12(13)11(7-14)10(6-9)8-2-3-8/h8-12,14H,2-7H2,1H3
InChIKeyNRMSOIDYHCULNS-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol?
The IUPAC name of (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol (CID 69428713) is (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol.
What is the SMILES notation for (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol?
The canonical SMILES for (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol is CN1C2CCC1C(CO)C(C1CC1)C2.
What is the InChIKey of (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol?
The InChIKey is NRMSOIDYHCULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-9-4-5-12(13)11(7-14)10(6-9)8-2-3-8/h8-12,14H,2-7H2,1H3.
What are the key properties of (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol?
(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol has a molecular weight of 195.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol is sourced from PubChem (CID 69428713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).