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

C15H21NO — CID 82194464

IUPAC4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
SMILESCc1ccc2c(c1)OC1(CCCC1)CC2(C)N
InChIInChI=1S/C15H21NO/c1-11-5-6-12-13(9-11)17-15(7-3-4-8-15)10-14(12,2)16/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyUHKLSCQWOIXTJE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.26
Rot. Bonds

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

4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine (PubChem CID 82194464) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
PubChem CID82194464
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
SMILESCc1ccc2c(c1)OC1(CCCC1)CC2(C)N
InChIInChI=1S/C15H21NO/c1-11-5-6-12-13(9-11)17-15(7-3-4-8-15)10-14(12,2)16/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyUHKLSCQWOIXTJE-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine (CID 82194464) is 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine is Cc1ccc2c(c1)OC1(CCCC1)CC2(C)N.
What is the InChIKey of 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The InChIKey is UHKLSCQWOIXTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-6-12-13(9-11)17-15(7-3-4-8-15)10-14(12,2)16/h5-6,9H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine has a molecular weight of 231.34 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82194464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).