4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine

C16H23NO — CID 82194495

IUPAC4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
SMILESCc1cc(C)c2c(c1)OC1(CCCC1)CC2(C)N
InChIInChI=1S/C16H23NO/c1-11-8-12(2)14-13(9-11)18-16(6-4-5-7-16)10-15(14,3)17/h8-9H,4-7,10,17H2,1-3H3
InChIKeyOOCIKZYDCGTQNT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.57
Rot. Bonds

About 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine

4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine (PubChem CID 82194495) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
PubChem CID82194495
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
SMILESCc1cc(C)c2c(c1)OC1(CCCC1)CC2(C)N
InChIInChI=1S/C16H23NO/c1-11-8-12(2)14-13(9-11)18-16(6-4-5-7-16)10-15(14,3)17/h8-9H,4-7,10,17H2,1-3H3
InChIKeyOOCIKZYDCGTQNT-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine (CID 82194495) is 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine is Cc1cc(C)c2c(c1)OC1(CCCC1)CC2(C)N.
What is the InChIKey of 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The InChIKey is OOCIKZYDCGTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-8-12(2)14-13(9-11)18-16(6-4-5-7-16)10-15(14,3)17/h8-9H,4-7,10,17H2,1-3H3.
What are the key properties of 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82194495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).