(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H25NO — CID 104946560

IUPAC(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC1(CCCC(C)C1C)O2
InChIInChI=1S/C17H25NO/c1-11-6-7-16-14(9-11)15(18)10-17(19-16)8-4-5-12(2)13(17)3/h6-7,9,12-13,15H,4-5,8,10,18H2,1-3H3/t12?,13?,15-,17?/m1/s1
InChIKeyVEZGESXXCJXOFP-QNJCKLSPSA-N
MW259.39 g/mol
LogP3.97
Rot. Bonds

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

(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104946560) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104946560
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC1(CCCC(C)C1C)O2
InChIInChI=1S/C17H25NO/c1-11-6-7-16-14(9-11)15(18)10-17(19-16)8-4-5-12(2)13(17)3/h6-7,9,12-13,15H,4-5,8,10,18H2,1-3H3/t12?,13?,15-,17?/m1/s1
InChIKeyVEZGESXXCJXOFP-QNJCKLSPSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine with MolForge

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Related Compounds

(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615
(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944135
(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
CID 104946484
N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712548
(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
(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
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135
(4R)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875145
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320

Frequently Asked Questions

What is the IUPAC name of (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104946560) is (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is Cc1ccc2c(c1)[C@H](N)CC1(CCCC(C)C1C)O2.
What is the InChIKey of (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is VEZGESXXCJXOFP-QNJCKLSPSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-6-7-16-14(9-11)15(18)10-17(19-16)8-4-5-12(2)13(17)3/h6-7,9,12-13,15H,4-5,8,10,18H2,1-3H3/t12?,13?,15-,17?/m1/s1.
What are the key properties of (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 259.39 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104946560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).