4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C19H29NO — CID 114709541

IUPAC4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC(C)(C)C1CCC2(CC1)CC(N)c1ccccc1O2
InChIInChI=1S/C19H29NO/c1-4-18(2,3)14-9-11-19(12-10-14)13-16(20)15-7-5-6-8-17(15)21-19/h5-8,14,16H,4,9-13,20H2,1-3H3
InChIKeyQGIBYZWLLBOQJO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.83
Rot. Bonds2

About 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114709541) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114709541
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC(C)(C)C1CCC2(CC1)CC(N)c1ccccc1O2
InChIInChI=1S/C19H29NO/c1-4-18(2,3)14-9-11-19(12-10-14)13-16(20)15-7-5-6-8-17(15)21-19/h5-8,14,16H,4,9-13,20H2,1-3H3
InChIKeyQGIBYZWLLBOQJO-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709557
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945705
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556

Frequently Asked Questions

What is the IUPAC name of 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114709541) is 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCC(C)(C)C1CCC2(CC1)CC(N)c1ccccc1O2.
What is the InChIKey of 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is QGIBYZWLLBOQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-18(2,3)14-9-11-19(12-10-14)13-16(20)15-7-5-6-8-17(15)21-19/h5-8,14,16H,4,9-13,20H2,1-3H3.
What are the key properties of 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114709541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).