(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine

C18H27NO — CID 104946445

IUPAC(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CC(C)CC(C)(C)C1)O2
InChIInChI=1S/C18H27NO/c1-12-5-6-16-14(7-12)15(19)10-18(20-16)9-13(2)8-17(3,4)11-18/h5-7,13,15H,8-11,19H2,1-4H3/t13?,15-,18?/m0/s1
InChIKeyCCCCGKPEBOAOQO-DBQDNQAGSA-N
MW273.42 g/mol
LogP4.36
Rot. Bonds

About (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine

(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine (PubChem CID 104946445) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
PubChem CID104946445
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CC(C)CC(C)(C)C1)O2
InChIInChI=1S/C18H27NO/c1-12-5-6-16-14(7-12)15(19)10-18(20-16)9-13(2)8-17(3,4)11-18/h5-7,13,15H,8-11,19H2,1-4H3/t13?,15-,18?/m0/s1
InChIKeyCCCCGKPEBOAOQO-DBQDNQAGSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine with MolForge

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Related Compounds

(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104945288
6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709631
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
CID 104946649
(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946467
(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104950010
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946481
(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946423
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600

Frequently Asked Questions

What is the IUPAC name of (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine?
The IUPAC name of (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine (CID 104946445) is (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine is Cc1ccc2c(c1)[C@@H](N)CC1(CC(C)CC(C)(C)C1)O2.
What is the InChIKey of (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine?
The InChIKey is CCCCGKPEBOAOQO-DBQDNQAGSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-5-6-16-14(7-12)15(19)10-18(20-16)9-13(2)8-17(3,4)11-18/h5-7,13,15H,8-11,19H2,1-4H3/t13?,15-,18?/m0/s1.
What are the key properties of (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine?
(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine is sourced from PubChem (CID 104946445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).