(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine

C8H16N2 — CID 124925903

IUPAC(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine
SMILESCN1[C@@H]2CC[C@@H](N)[C@@H]1CC2
InChIInChI=1S/C8H16N2/c1-10-6-2-4-7(9)8(10)5-3-6/h6-8H,2-5,9H2,1H3/t6-,7-,8+/m1/s1
InChIKeyDVWWFIRHFFEWAP-PRJMDXOYSA-N
MW140.23 g/mol
LogP0.57
Rot. Bonds

About (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine

(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine (PubChem CID 124925903) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine.

Molecular Properties

Compound Name(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine
PubChem CID124925903
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine
SMILESCN1[C@@H]2CC[C@@H](N)[C@@H]1CC2
InChIInChI=1S/C8H16N2/c1-10-6-2-4-7(9)8(10)5-3-6/h6-8H,2-5,9H2,1H3/t6-,7-,8+/m1/s1
InChIKeyDVWWFIRHFFEWAP-PRJMDXOYSA-N
XLogP0.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine
CID 124527057
[(2R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol
CID 69427433
5-methyl-5-azabicyclo[2.1.0]pentane
CID 102031260
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
CID 126540948
(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 174018947
(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
CID 164821448
(1R,2S,4S)-2-chloro-7-methyl-7-azabicyclo[2.2.1]heptane
CID 131218994
7-methyl-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
CID 20522308
(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903
trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
CID 130759718
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
tert-butyl (1R,2R,5R)-2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 112756703

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine?
The IUPAC name of (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine (CID 124925903) is (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine.
What is the SMILES notation for (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine?
The canonical SMILES for (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine is CN1[C@@H]2CC[C@@H](N)[C@@H]1CC2.
What is the InChIKey of (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine?
The InChIKey is DVWWFIRHFFEWAP-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-6-2-4-7(9)8(10)5-3-6/h6-8H,2-5,9H2,1H3/t6-,7-,8+/m1/s1.
What are the key properties of (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine?
(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine has a molecular weight of 140.23 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine is sourced from PubChem (CID 124925903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).