(1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane

C8H14ClN — CID 98059828

IUPAC(1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@@H]1CC(Cl)C2
InChIInChI=1S/C8H14ClN/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyWXRBWXUZUHYHQS-HTQZYQBOSA-N
MW159.66 g/mol
LogP1.85
Rot. Bonds

About (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane

(1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 98059828) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID98059828
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@@H]1CC(Cl)C2
InChIInChI=1S/C8H14ClN/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyWXRBWXUZUHYHQS-HTQZYQBOSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903
(1R,2S,4S)-2-chloro-7-methyl-7-azabicyclo[2.2.1]heptane
CID 131218994
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane
CID 140763000
(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 174018947
N-(azetidin-3-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130679247
3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane
CID 104567144
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003191
3-chloro-8-[2-(3-methylbutoxy)ethyl]-8-azabicyclo[3.2.1]octane
CID 55237403
(1R)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 104932140
N-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131525
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane (CID 98059828) is (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@@H]1CC(Cl)C2.
What is the InChIKey of (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is WXRBWXUZUHYHQS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14ClN/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane?
(1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 159.66 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 98059828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).