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

C8H16N2 — CID 736442

IUPAC(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(N)C2
InChIInChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6?,7-,8+
InChIKeyHJGMRAKQWLKWMH-IEESLHIDSA-N
MW140.23 g/mol
LogP0.57
Rot. Bonds

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

(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 736442) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID736442
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(N)C2
InChIInChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6?,7-,8+
InChIKeyHJGMRAKQWLKWMH-IEESLHIDSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 736442) is (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1[C@@H]2CC[C@H]1CC(N)C2.
What is the InChIKey of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HJGMRAKQWLKWMH-IEESLHIDSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6?,7-,8+.
What are the key properties of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-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,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 736442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).