3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine

C11H15N3 — CID 130791635

IUPAC3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine
SMILESNc1ncccc1NC1CC2CC2C1
InChIInChI=1S/C11H15N3/c12-11-10(2-1-3-13-11)14-9-5-7-4-8(7)6-9/h1-3,7-9,14H,4-6H2,(H2,12,13)
InChIKeyRZFTXNZLEJHJJZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.87
Rot. Bonds2

About 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine

3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine (PubChem CID 130791635) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine
PubChem CID130791635
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine
SMILESNc1ncccc1NC1CC2CC2C1
InChIInChI=1S/C11H15N3/c12-11-10(2-1-3-13-11)14-9-5-7-4-8(7)6-9/h1-3,7-9,14H,4-6H2,(H2,12,13)
InChIKeyRZFTXNZLEJHJJZ-UHFFFAOYSA-N
XLogP1.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine (CID 130791635) is 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine is Nc1ncccc1NC1CC2CC2C1.
What is the InChIKey of 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine?
The InChIKey is RZFTXNZLEJHJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-11-10(2-1-3-13-11)14-9-5-7-4-8(7)6-9/h1-3,7-9,14H,4-6H2,(H2,12,13).
What are the key properties of 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine?
3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine has a molecular weight of 189.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine is sourced from PubChem (CID 130791635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).