6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C17H25NO2 — CID 82462803

IUPAC6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCCOc1ccc2c(c1)C(N)CC1(CCCC1)O2
InChIInChI=1S/C17H25NO2/c1-2-3-10-19-13-6-7-16-14(11-13)15(18)12-17(20-16)8-4-5-9-17/h6-7,11,15H,2-5,8-10,12,18H2,1H3
InChIKeyAYUTXVFZTYLKMZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.96
Rot. Bonds4

About 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 82462803) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID82462803
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCCOc1ccc2c(c1)C(N)CC1(CCCC1)O2
InChIInChI=1S/C17H25NO2/c1-2-3-10-19-13-6-7-16-14(11-13)15(18)12-17(20-16)8-4-5-9-17/h6-7,11,15H,2-5,8-10,12,18H2,1H3
InChIKeyAYUTXVFZTYLKMZ-UHFFFAOYSA-N
XLogP3.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463054
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974

Frequently Asked Questions

What is the IUPAC name of 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 82462803) is 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCCCOc1ccc2c(c1)C(N)CC1(CCCC1)O2.
What is the InChIKey of 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is AYUTXVFZTYLKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-10-19-13-6-7-16-14(11-13)15(18)12-17(20-16)8-4-5-9-17/h6-7,11,15H,2-5,8-10,12,18H2,1H3.
What are the key properties of 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82462803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).