4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine

C15H14N2O — CID 135161603

IUPAC4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine
SMILESNc1cc(Oc2ccc3c(c2)C2CC2C3)ccn1
InChIInChI=1S/C15H14N2O/c16-15-8-12(3-4-17-15)18-11-2-1-9-5-10-6-13(10)14(9)7-11/h1-4,7-8,10,13H,5-6H2,(H2,16,17)
InChIKeyOJMHYGUCHHTNCU-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.12
Rot. Bonds2

About 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine

4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine (PubChem CID 135161603) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine
PubChem CID135161603
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine
SMILESNc1cc(Oc2ccc3c(c2)C2CC2C3)ccn1
InChIInChI=1S/C15H14N2O/c16-15-8-12(3-4-17-15)18-11-2-1-9-5-10-6-13(10)14(9)7-11/h1-4,7-8,10,13H,5-6H2,(H2,16,17)
InChIKeyOJMHYGUCHHTNCU-UHFFFAOYSA-N
XLogP3.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine?
The IUPAC name of 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine (CID 135161603) is 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine.
What is the SMILES notation for 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine?
The canonical SMILES for 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine is Nc1cc(Oc2ccc3c(c2)C2CC2C3)ccn1.
What is the InChIKey of 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine?
The InChIKey is OJMHYGUCHHTNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-15-8-12(3-4-17-15)18-11-2-1-9-5-10-6-13(10)14(9)7-11/h1-4,7-8,10,13H,5-6H2,(H2,16,17).
What are the key properties of 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine?
4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yloxy)pyridin-2-amine is sourced from PubChem (CID 135161603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).