2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine

C17H25NO — CID 82089985

IUPAC2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
SMILESCCc1ccc2c(c1)C(CCN)CC1(CCCC1)O2
InChIInChI=1S/C17H25NO/c1-2-13-5-6-16-15(11-13)14(7-10-18)12-17(19-16)8-3-4-9-17/h5-6,11,14H,2-4,7-10,12,18H2,1H3
InChIKeyAKXFVDDPMLVYNX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds3

About 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine

2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine (PubChem CID 82089985) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
PubChem CID82089985
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
SMILESCCc1ccc2c(c1)C(CCN)CC1(CCCC1)O2
InChIInChI=1S/C17H25NO/c1-2-13-5-6-16-15(11-13)14(7-10-18)12-17(19-16)8-3-4-9-17/h5-6,11,14H,2-4,7-10,12,18H2,1H3
InChIKeyAKXFVDDPMLVYNX-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82087172
6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
CID 82084732
2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 21460973
2-[(1R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 67627169
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 42220642
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636
N,N,6-triethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046943
(2R,3S)-3-amino-1-[(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)amino]-4-phenylbutan-2-ol
CID 59468644
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine
CID 82090619
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82075648
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine?
The IUPAC name of 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine (CID 82089985) is 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine.
What is the SMILES notation for 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine?
The canonical SMILES for 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine is CCc1ccc2c(c1)C(CCN)CC1(CCCC1)O2.
What is the InChIKey of 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine?
The InChIKey is AKXFVDDPMLVYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-13-5-6-16-15(11-13)14(7-10-18)12-17(19-16)8-3-4-9-17/h5-6,11,14H,2-4,7-10,12,18H2,1H3.
What are the key properties of 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine?
2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine is sourced from PubChem (CID 82089985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).