(1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine

C8H16N2 — CID 69172526

IUPAC(1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESC[C@H]1C[C@@]2(N)CN(C)C[C@@H]12
InChIInChI=1S/C8H16N2/c1-6-3-8(9)5-10(2)4-7(6)8/h6-7H,3-5,9H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyYADXQIZIKYMKPJ-BIIVOSGPSA-N
MW140.23 g/mol
LogP0.29
Rot. Bonds

About (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine

(1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 69172526) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID69172526
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESC[C@H]1C[C@@]2(N)CN(C)C[C@@H]12
InChIInChI=1S/C8H16N2/c1-6-3-8(9)5-10(2)4-7(6)8/h6-7H,3-5,9H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyYADXQIZIKYMKPJ-BIIVOSGPSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine (CID 69172526) is (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine is C[C@H]1C[C@@]2(N)CN(C)C[C@@H]12.
What is the InChIKey of (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is YADXQIZIKYMKPJ-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-3-8(9)5-10(2)4-7(6)8/h6-7H,3-5,9H2,1-2H3/t6-,7-,8+/m0/s1.
What are the key properties of (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine?
(1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 69172526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).