N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C18H27NO2 — CID 82462754

IUPACN-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCCNC1CC2(CCCC2)Oc2cc(OC)ccc21
InChIInChI=1S/C18H27NO2/c1-3-4-11-19-16-13-18(9-5-6-10-18)21-17-12-14(20-2)7-8-15(16)17/h7-8,12,16,19H,3-6,9-11,13H2,1-2H3
InChIKeyJDUUDTUZCVESJK-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.22
Rot. Bonds5

About N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 82462754) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound NameN-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID82462754
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCCNC1CC2(CCCC2)Oc2cc(OC)ccc21
InChIInChI=1S/C18H27NO2/c1-3-4-11-19-16-13-18(9-5-6-10-18)21-17-12-14(20-2)7-8-15(16)17/h7-8,12,16,19H,3-6,9-11,13H2,1-2H3
InChIKeyJDUUDTUZCVESJK-UHFFFAOYSA-N
XLogP4.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.22
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

7-methoxy-N-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711050
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114711066
7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 54401835
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462902
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770
N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461741
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114711027
N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462666

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 82462754) is N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCCCNC1CC2(CCCC2)Oc2cc(OC)ccc21.
What is the InChIKey of N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is JDUUDTUZCVESJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-4-11-19-16-13-18(9-5-6-10-18)21-17-12-14(20-2)7-8-15(16)17/h7-8,12,16,19H,3-6,9-11,13H2,1-2H3.
What are the key properties of N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 289.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82462754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).