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

C17H25NO — CID 104946149

IUPAC(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCC1CCC2(CC1)C[C@@H](N)c1ccccc1O2
InChIInChI=1S/C17H25NO/c1-2-5-13-8-10-17(11-9-13)12-15(18)14-6-3-4-7-16(14)19-17/h3-4,6-7,13,15H,2,5,8-12,18H2,1H3/t13?,15-,17?/m1/s1
InChIKeyIXEORZLFWLBZEW-GNHJJJEISA-N
MW259.39 g/mol
LogP4.20
Rot. Bonds2

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

(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104946149) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104946149
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCC1CCC2(CC1)C[C@@H](N)c1ccccc1O2
InChIInChI=1S/C17H25NO/c1-2-5-13-8-10-17(11-9-13)12-15(18)14-6-3-4-7-16(14)19-17/h3-4,6-7,13,15H,2,5,8-12,18H2,1H3/t13?,15-,17?/m1/s1
InChIKeyIXEORZLFWLBZEW-GNHJJJEISA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104946149) is (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCCC1CCC2(CC1)C[C@@H](N)c1ccccc1O2.
What is the InChIKey of (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is IXEORZLFWLBZEW-GNHJJJEISA-N. The full InChI is InChI=1S/C17H25NO/c1-2-5-13-8-10-17(11-9-13)12-15(18)14-6-3-4-7-16(14)19-17/h3-4,6-7,13,15H,2,5,8-12,18H2,1H3/t13?,15-,17?/m1/s1.
What are the key properties of (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 259.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104946149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).