3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H23NO — CID 114709557

IUPAC3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCCC2(C1)CC(N)c1ccccc1O2
InChIInChI=1S/C16H23NO/c1-2-12-6-5-9-16(10-12)11-14(17)13-7-3-4-8-15(13)18-16/h3-4,7-8,12,14H,2,5-6,9-11,17H2,1H3
InChIKeyGNWYRMYELZLHST-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.81
Rot. Bonds1

About 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114709557) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114709557
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCCC2(C1)CC(N)c1ccccc1O2
InChIInChI=1S/C16H23NO/c1-2-12-6-5-9-16(10-12)11-14(17)13-7-3-4-8-15(13)18-16/h3-4,7-8,12,14H,2,5-6,9-11,17H2,1H3
InChIKeyGNWYRMYELZLHST-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3'-ethylspiro[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

Frequently Asked Questions

What is the IUPAC name of 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114709557) is 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCC1CCCC2(C1)CC(N)c1ccccc1O2.
What is the InChIKey of 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is GNWYRMYELZLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-12-6-5-9-16(10-12)11-14(17)13-7-3-4-8-15(13)18-16/h3-4,7-8,12,14H,2,5-6,9-11,17H2,1H3.
What are the key properties of 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114709557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).