(1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

C7H14N2 — CID 55287826

IUPAC(1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCN(C)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C7H14N2/c1-9(2)7-5-3-8-4-6(5)7/h5-8H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyOJQACUULHAUXBI-MEKDEQNOSA-N
MW126.20 g/mol
LogP-0.23
Rot. Bonds1

About (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

(1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 55287826) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID55287826
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCN(C)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C7H14N2/c1-9(2)7-5-3-8-4-6(5)7/h5-8H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyOJQACUULHAUXBI-MEKDEQNOSA-N
XLogP-0.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 55287826) is (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is CN(C)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is OJQACUULHAUXBI-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H14N2/c1-9(2)7-5-3-8-4-6(5)7/h5-8H,3-4H2,1-2H3/t5-,6+,7?.
What are the key properties of (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
(1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 126.20 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 55287826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).