2-(1-bicyclo[3.1.0]hexanyl)ethanamine

C8H15N — CID 21391834

IUPAC2-(1-bicyclo[3.1.0]hexanyl)ethanamine
SMILESNCCC12CCCC1C2
InChIInChI=1S/C8H15N/c9-5-4-8-3-1-2-7(8)6-8/h7H,1-6,9H2
InChIKeyDYXAGWGHAQSPNR-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.53
Rot. Bonds2

About 2-(1-bicyclo[3.1.0]hexanyl)ethanamine

2-(1-bicyclo[3.1.0]hexanyl)ethanamine (PubChem CID 21391834) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2-(1-bicyclo[3.1.0]hexanyl)ethanamine.

Molecular Properties

Compound Name2-(1-bicyclo[3.1.0]hexanyl)ethanamine
PubChem CID21391834
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2-(1-bicyclo[3.1.0]hexanyl)ethanamine
SMILESNCCC12CCCC1C2
InChIInChI=1S/C8H15N/c9-5-4-8-3-1-2-7(8)6-8/h7H,1-6,9H2
InChIKeyDYXAGWGHAQSPNR-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[3.1.0]hexanyl)ethanamine?
The IUPAC name of 2-(1-bicyclo[3.1.0]hexanyl)ethanamine (CID 21391834) is 2-(1-bicyclo[3.1.0]hexanyl)ethanamine.
What is the SMILES notation for 2-(1-bicyclo[3.1.0]hexanyl)ethanamine?
The canonical SMILES for 2-(1-bicyclo[3.1.0]hexanyl)ethanamine is NCCC12CCCC1C2.
What is the InChIKey of 2-(1-bicyclo[3.1.0]hexanyl)ethanamine?
The InChIKey is DYXAGWGHAQSPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c9-5-4-8-3-1-2-7(8)6-8/h7H,1-6,9H2.
What are the key properties of 2-(1-bicyclo[3.1.0]hexanyl)ethanamine?
2-(1-bicyclo[3.1.0]hexanyl)ethanamine has a molecular weight of 125.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[3.1.0]hexanyl)ethanamine is sourced from PubChem (CID 21391834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).