(7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine

C10H18N2O — CID 134249979

IUPAC(7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine
SMILESCC12CC3CC(C[C@H](C1)C3N)N2O
InChIInChI=1S/C10H18N2O/c1-10-4-6-2-8(12(10)13)3-7(5-10)9(6)11/h6-9,13H,2-5,11H2,1H3/t6-,7?,8?,9?,10?/m1/s1
InChIKeyMKCJROOYHIDDBU-VUTZLFHMSA-N
MW182.27 g/mol
LogP0.97
Rot. Bonds

About (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine

(7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine (PubChem CID 134249979) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine.

Molecular Properties

Compound Name(7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine
PubChem CID134249979
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine
SMILESCC12CC3CC(C[C@H](C1)C3N)N2O
InChIInChI=1S/C10H18N2O/c1-10-4-6-2-8(12(10)13)3-7(5-10)9(6)11/h6-9,13H,2-5,11H2,1H3/t6-,7?,8?,9?,10?/m1/s1
InChIKeyMKCJROOYHIDDBU-VUTZLFHMSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine?
The IUPAC name of (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine (CID 134249979) is (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine.
What is the SMILES notation for (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine?
The canonical SMILES for (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine is CC12CC3CC(C[C@H](C1)C3N)N2O.
What is the InChIKey of (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine?
The InChIKey is MKCJROOYHIDDBU-VUTZLFHMSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10-4-6-2-8(12(10)13)3-7(5-10)9(6)11/h6-9,13H,2-5,11H2,1H3/t6-,7?,8?,9?,10?/m1/s1.
What are the key properties of (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine?
(7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine has a molecular weight of 182.27 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decan-6-amine is sourced from PubChem (CID 134249979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).