(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

C14H20N2O — CID 104946467

IUPAC(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CCN(C)C1)O2
InChIInChI=1S/C14H20N2O/c1-10-3-4-13-11(7-10)12(15)8-14(17-13)5-6-16(2)9-14/h3-4,7,12H,5-6,8-9,15H2,1-2H3/t12-,14?/m0/s1
InChIKeyTUNRVESGGAXOGD-NBFOIZRFSA-N
MW232.33 g/mol
LogP1.85
Rot. Bonds

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

(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (PubChem CID 104946467) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
PubChem CID104946467
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CCN(C)C1)O2
InChIInChI=1S/C14H20N2O/c1-10-3-4-13-11(7-10)12(15)8-14(17-13)5-6-16(2)9-14/h3-4,7,12H,5-6,8-9,15H2,1-2H3/t12-,14?/m0/s1
InChIKeyTUNRVESGGAXOGD-NBFOIZRFSA-N
XLogP1.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946423
(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946242
(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104945533
(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709709
6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709631
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
CID 104946649
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104946445
(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946481

Frequently Asked Questions

What is the IUPAC name of (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The IUPAC name of (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (CID 104946467) is (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.
What is the SMILES notation for (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The canonical SMILES for (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is Cc1ccc2c(c1)[C@@H](N)CC1(CCN(C)C1)O2.
What is the InChIKey of (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The InChIKey is TUNRVESGGAXOGD-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-3-4-13-11(7-10)12(15)8-14(17-13)5-6-16(2)9-14/h3-4,7,12H,5-6,8-9,15H2,1-2H3/t12-,14?/m0/s1.
What are the key properties of (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine has a molecular weight of 232.33 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is sourced from PubChem (CID 104946467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).