3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

C7H14N2 — CID 20700261

IUPAC3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCN1CC2C(C1)C2(C)N
InChIInChI=1S/C7H14N2/c1-7(8)5-3-9(2)4-6(5)7/h5-6H,3-4,8H2,1-2H3
InChIKeyTZKHQUGCAKSOBN-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.10
Rot. Bonds

About 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 20700261) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID20700261
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCN1CC2C(C1)C2(C)N
InChIInChI=1S/C7H14N2/c1-7(8)5-3-9(2)4-6(5)7/h5-6H,3-4,8H2,1-2H3
InChIKeyTZKHQUGCAKSOBN-UHFFFAOYSA-N
XLogP-0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 20700261) is 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is CN1CC2C(C1)C2(C)N.
What is the InChIKey of 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is TZKHQUGCAKSOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(8)5-3-9(2)4-6(5)7/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 126.20 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 20700261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).