N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine

C20H22N2O — CID 19771647

IUPACN-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCC(NC1=NCCCC1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H22N2O/c1-2-17(22-20-9-5-6-12-21-20)14-10-11-19-16(13-14)15-7-3-4-8-18(15)23-19/h3-4,7-8,10-11,13,17H,2,5-6,9,12H2,1H3,(H,21,22)
InChIKeyMKRSHXDTMGOCRA-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.21
Rot. Bonds3

About N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 19771647) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID19771647
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCC(NC1=NCCCC1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H22N2O/c1-2-17(22-20-9-5-6-12-21-20)14-10-11-19-16(13-14)15-7-3-4-8-18(15)23-19/h3-4,7-8,10-11,13,17H,2,5-6,9,12H2,1H3,(H,21,22)
InChIKeyMKRSHXDTMGOCRA-UHFFFAOYSA-N
XLogP5.21
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 19771647) is N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine is CCC(NC1=NCCCC1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is MKRSHXDTMGOCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-17(22-20-9-5-6-12-21-20)14-10-11-19-16(13-14)15-7-3-4-8-18(15)23-19/h3-4,7-8,10-11,13,17H,2,5-6,9,12H2,1H3,(H,21,22).
What are the key properties of N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 306.41 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 19771647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).