N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine

C9H16N2O — CID 79503427

IUPACN-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1CN=C(NC2CCCOC2)C1
InChIInChI=1S/C9H16N2O/c1-4-9(10-5-1)11-8-3-2-6-12-7-8/h8H,1-7H2,(H,10,11)
InChIKeySPNDRNLJHPYMSK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.95
Rot. Bonds1

About N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine

N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79503427) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79503427
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1CN=C(NC2CCCOC2)C1
InChIInChI=1S/C9H16N2O/c1-4-9(10-5-1)11-8-3-2-6-12-7-8/h8H,1-7H2,(H,10,11)
InChIKeySPNDRNLJHPYMSK-UHFFFAOYSA-N
XLogP0.95
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-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-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 79503427) is N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine is C1CN=C(NC2CCCOC2)C1.
What is the InChIKey of N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is SPNDRNLJHPYMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9(10-5-1)11-8-3-2-6-12-7-8/h8H,1-7H2,(H,10,11).
What are the key properties of N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79503427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).