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

C8H16N2 — CID 58960916

IUPAC(1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCN1C[C@@H]2C(N(C)C)[C@@H]2C1
InChIInChI=1S/C8H16N2/c1-9(2)8-6-4-10(3)5-7(6)8/h6-8H,4-5H2,1-3H3/t6-,7+,8?
InChIKeyWBBNOMDNPQLFFF-DHBOJHSNSA-N
MW140.23 g/mol
LogP0.11
Rot. Bonds1

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

(1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 58960916) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID58960916
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCN1C[C@@H]2C(N(C)C)[C@@H]2C1
InChIInChI=1S/C8H16N2/c1-9(2)8-6-4-10(3)5-7(6)8/h6-8H,4-5H2,1-3H3/t6-,7+,8?
InChIKeyWBBNOMDNPQLFFF-DHBOJHSNSA-N
XLogP0.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 58960916) is (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine is CN1C[C@@H]2C(N(C)C)[C@@H]2C1.
What is the InChIKey of (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is WBBNOMDNPQLFFF-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H16N2/c1-9(2)8-6-4-10(3)5-7(6)8/h6-8H,4-5H2,1-3H3/t6-,7+,8?.
What are the key properties of (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
(1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 140.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N,3-trimethyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 58960916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).