(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H23NO — CID 104946089

IUPAC(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC1CC(C)CC2(C1)C[C@@H](N)c1ccccc1O2
InChIInChI=1S/C16H23NO/c1-11-7-12(2)9-16(8-11)10-14(17)13-5-3-4-6-15(13)18-16/h3-6,11-12,14H,7-10,17H2,1-2H3/t11?,12?,14-,16?/m1/s1
InChIKeyIJJPNJDAJSYEBX-VTUJEPCUSA-N
MW245.37 g/mol
LogP3.66
Rot. Bonds

About (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104946089) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104946089
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC1CC(C)CC2(C1)C[C@@H](N)c1ccccc1O2
InChIInChI=1S/C16H23NO/c1-11-7-12(2)9-16(8-11)10-14(17)13-5-3-4-6-15(13)18-16/h3-6,11-12,14H,7-10,17H2,1-2H3/t11?,12?,14-,16?/m1/s1
InChIKeyIJJPNJDAJSYEBX-VTUJEPCUSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711957
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946242
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149

Frequently Asked Questions

What is the IUPAC name of (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104946089) is (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC1CC(C)CC2(C1)C[C@@H](N)c1ccccc1O2.
What is the InChIKey of (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is IJJPNJDAJSYEBX-VTUJEPCUSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-7-12(2)9-16(8-11)10-14(17)13-5-3-4-6-15(13)18-16/h3-6,11-12,14H,7-10,17H2,1-2H3/t11?,12?,14-,16?/m1/s1.
What are the key properties of (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104946089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).