2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine

C7H14N2 — CID 83814997

IUPAC2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine
SMILESNCCN1CC2CC2C1
InChIInChI=1S/C7H14N2/c8-1-2-9-4-6-3-7(6)5-9/h6-7H,1-5,8H2
InChIKeyHGFCITIEXGVREG-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.10
Rot. Bonds2

About 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine

2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine (PubChem CID 83814997) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine
PubChem CID83814997
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine
SMILESNCCN1CC2CC2C1
InChIInChI=1S/C7H14N2/c8-1-2-9-4-6-3-7(6)5-9/h6-7H,1-5,8H2
InChIKeyHGFCITIEXGVREG-UHFFFAOYSA-N
XLogP-0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine (CID 83814997) is 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine is NCCN1CC2CC2C1.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine?
The InChIKey is HGFCITIEXGVREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-1-2-9-4-6-3-7(6)5-9/h6-7H,1-5,8H2.
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine?
2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine has a molecular weight of 126.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-3-yl)ethanamine is sourced from PubChem (CID 83814997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).