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

C8H16N2 — CID 55286761

IUPAC(1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCN[C@H]1C[C@@]2(C)CNC[C@@H]12
InChIInChI=1S/C8H16N2/c1-8-3-7(9-2)6(8)4-10-5-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyKTQHWBXBTBQZNH-FXQIFTODSA-N
MW140.23 g/mol
LogP0.20
Rot. Bonds1

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

(1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine (PubChem CID 55286761) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine
PubChem CID55286761
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCN[C@H]1C[C@@]2(C)CNC[C@@H]12
InChIInChI=1S/C8H16N2/c1-8-3-7(9-2)6(8)4-10-5-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyKTQHWBXBTBQZNH-FXQIFTODSA-N
XLogP0.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine (CID 55286761) is (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine is CN[C@H]1C[C@@]2(C)CNC[C@@H]12.
What is the InChIKey of (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The InChIKey is KTQHWBXBTBQZNH-FXQIFTODSA-N. The full InChI is InChI=1S/C8H16N2/c1-8-3-7(9-2)6(8)4-10-5-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7-,8-/m0/s1.
What are the key properties of (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine?
(1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine has a molecular weight of 140.23 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 55286761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).