3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine

C17H24N2O — CID 82047166

IUPAC3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
SMILESCc1cc2c(cc1C)OC1(C=C2)CCN(CCCN)C1
InChIInChI=1S/C17H24N2O/c1-13-10-15-4-5-17(20-16(15)11-14(13)2)6-9-19(12-17)8-3-7-18/h4-5,10-11H,3,6-9,12,18H2,1-2H3
InChIKeyXUUCOURUONXCQT-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.50
Rot. Bonds3

About 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine

3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine (PubChem CID 82047166) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
PubChem CID82047166
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
SMILESCc1cc2c(cc1C)OC1(C=C2)CCN(CCCN)C1
InChIInChI=1S/C17H24N2O/c1-13-10-15-4-5-17(20-16(15)11-14(13)2)6-9-19(12-17)8-3-7-18/h4-5,10-11H,3,6-9,12,18H2,1-2H3
InChIKeyXUUCOURUONXCQT-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-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 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The IUPAC name of 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine (CID 82047166) is 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine.
What is the SMILES notation for 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The canonical SMILES for 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine is Cc1cc2c(cc1C)OC1(C=C2)CCN(CCCN)C1.
What is the InChIKey of 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The InChIKey is XUUCOURUONXCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-10-15-4-5-17(20-16(15)11-14(13)2)6-9-19(12-17)8-3-7-18/h4-5,10-11H,3,6-9,12,18H2,1-2H3.
What are the key properties of 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine is sourced from PubChem (CID 82047166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).