3-bicyclo[4.2.0]octanylmethanamine

C9H17N — CID 131991304

IUPAC3-bicyclo[4.2.0]octanylmethanamine
SMILESNCC1CCC2CCC2C1
InChIInChI=1S/C9H17N/c10-6-7-1-2-8-3-4-9(8)5-7/h7-9H,1-6,10H2
InChIKeyYTWGDAXWBFYUBR-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.77
Rot. Bonds1

About 3-bicyclo[4.2.0]octanylmethanamine

3-bicyclo[4.2.0]octanylmethanamine (PubChem CID 131991304) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-bicyclo[4.2.0]octanylmethanamine.

Molecular Properties

Compound Name3-bicyclo[4.2.0]octanylmethanamine
PubChem CID131991304
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-bicyclo[4.2.0]octanylmethanamine
SMILESNCC1CCC2CCC2C1
InChIInChI=1S/C9H17N/c10-6-7-1-2-8-3-4-9(8)5-7/h7-9H,1-6,10H2
InChIKeyYTWGDAXWBFYUBR-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[4.2.0]octanylmethanamine?
The IUPAC name of 3-bicyclo[4.2.0]octanylmethanamine (CID 131991304) is 3-bicyclo[4.2.0]octanylmethanamine.
What is the SMILES notation for 3-bicyclo[4.2.0]octanylmethanamine?
The canonical SMILES for 3-bicyclo[4.2.0]octanylmethanamine is NCC1CCC2CCC2C1.
What is the InChIKey of 3-bicyclo[4.2.0]octanylmethanamine?
The InChIKey is YTWGDAXWBFYUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-6-7-1-2-8-3-4-9(8)5-7/h7-9H,1-6,10H2.
What are the key properties of 3-bicyclo[4.2.0]octanylmethanamine?
3-bicyclo[4.2.0]octanylmethanamine has a molecular weight of 139.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[4.2.0]octanylmethanamine is sourced from PubChem (CID 131991304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).