(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C15H21NO — CID 104946615

IUPAC(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC1(CCCC1C)O2
InChIInChI=1S/C15H21NO/c1-10-5-6-14-12(8-10)13(16)9-15(17-14)7-3-4-11(15)2/h5-6,8,11,13H,3-4,7,9,16H2,1-2H3/t11?,13-,15?/m1/s1
InChIKeyBBFIGYDWRBIVNG-GLWUULTISA-N
MW231.34 g/mol
LogP3.34
Rot. Bonds

About (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 104946615) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID104946615
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC1(CCCC1C)O2
InChIInChI=1S/C15H21NO/c1-10-5-6-14-12(8-10)13(16)9-15(17-14)7-3-4-11(15)2/h5-6,8,11,13H,3-4,7,9,16H2,1-2H3/t11?,13-,15?/m1/s1
InChIKeyBBFIGYDWRBIVNG-GLWUULTISA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946560
N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712548
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
CID 104946484
(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944135
(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946481
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
CID 104946649
(4S)-6-bromo-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947297
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535
(4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945179
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320

Frequently Asked Questions

What is the IUPAC name of (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 104946615) is (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is Cc1ccc2c(c1)[C@H](N)CC1(CCCC1C)O2.
What is the InChIKey of (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is BBFIGYDWRBIVNG-GLWUULTISA-N. The full InChI is InChI=1S/C15H21NO/c1-10-5-6-14-12(8-10)13(16)9-15(17-14)7-3-4-11(15)2/h5-6,8,11,13H,3-4,7,9,16H2,1-2H3/t11?,13-,15?/m1/s1.
What are the key properties of (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 231.34 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 104946615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).