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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Related Compounds

4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194488
4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194495
6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
CID 10560055
4,6-dimethyl-2,3-dihydrochromen-4-amine
CID 82194374
5-ethoxy-4-methylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194514
(3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol
CID 10331512
(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol
CID 138975500
2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene
CID 158010742
(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol
CID 11096080
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
(2aR,7bS)-2a,5,7b-trimethyl-1H-cyclobuta[b][1]benzofuran-2-one
CID 11019939
4,4-difluoro-7-methyl-2,3-dihydrochromene
CID 84718817

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).