azane;3-bicyclo[3.1.0]hexanylmethanamine

C7H16N2 — CID 70417036

IUPACazane;3-bicyclo[3.1.0]hexanylmethanamine
SMILESN.NCC1CC2CC2C1
InChIInChI=1S/C7H13N.H3N/c8-4-5-1-6-3-7(6)2-5;/h5-7H,1-4,8H2;1H3
InChIKeyILXIBFAPOFGTBK-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.15
Rot. Bonds1

About azane;3-bicyclo[3.1.0]hexanylmethanamine

azane;3-bicyclo[3.1.0]hexanylmethanamine (PubChem CID 70417036) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is azane;3-bicyclo[3.1.0]hexanylmethanamine.

Molecular Properties

Compound Nameazane;3-bicyclo[3.1.0]hexanylmethanamine
PubChem CID70417036
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nameazane;3-bicyclo[3.1.0]hexanylmethanamine
SMILESN.NCC1CC2CC2C1
InChIInChI=1S/C7H13N.H3N/c8-4-5-1-6-3-7(6)2-5;/h5-7H,1-4,8H2;1H3
InChIKeyILXIBFAPOFGTBK-UHFFFAOYSA-N
XLogP1.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;3-bicyclo[3.1.0]hexanylmethanamine?
The IUPAC name of azane;3-bicyclo[3.1.0]hexanylmethanamine (CID 70417036) is azane;3-bicyclo[3.1.0]hexanylmethanamine.
What is the SMILES notation for azane;3-bicyclo[3.1.0]hexanylmethanamine?
The canonical SMILES for azane;3-bicyclo[3.1.0]hexanylmethanamine is N.NCC1CC2CC2C1.
What is the InChIKey of azane;3-bicyclo[3.1.0]hexanylmethanamine?
The InChIKey is ILXIBFAPOFGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.H3N/c8-4-5-1-6-3-7(6)2-5;/h5-7H,1-4,8H2;1H3.
What are the key properties of azane;3-bicyclo[3.1.0]hexanylmethanamine?
azane;3-bicyclo[3.1.0]hexanylmethanamine has a molecular weight of 128.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-bicyclo[3.1.0]hexanylmethanamine is sourced from PubChem (CID 70417036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).