5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C18H27NO2 — CID 82462809

IUPAC5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCOc1cccc2c1C(NCC(C)C)CC1(CCCC1)O2
InChIInChI=1S/C18H27NO2/c1-13(2)12-19-14-11-18(9-4-5-10-18)21-16-8-6-7-15(20-3)17(14)16/h6-8,13-14,19H,4-5,9-12H2,1-3H3
InChIKeyAZKDAMRFPQNYPE-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.08
Rot. Bonds4

About 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 82462809) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID82462809
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCOc1cccc2c1C(NCC(C)C)CC1(CCCC1)O2
InChIInChI=1S/C18H27NO2/c1-13(2)12-19-14-11-18(9-4-5-10-18)21-16-8-6-7-15(20-3)17(14)16/h6-8,13-14,19H,4-5,9-12H2,1-3H3
InChIKeyAZKDAMRFPQNYPE-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82462367
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462867
2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine
CID 82462380
7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 54401835
(4S)-6,7-dimethoxy-N-(naphthalen-1-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 70594660
1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 100746880
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine
CID 97321760
4-methoxy-2-methyl-5-propan-2-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzenesulfonamide
CID 133162023
[3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
CID 97231646

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 82462809) is 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is COc1cccc2c1C(NCC(C)C)CC1(CCCC1)O2.
What is the InChIKey of 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is AZKDAMRFPQNYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)12-19-14-11-18(9-4-5-10-18)21-16-8-6-7-15(20-3)17(14)16/h6-8,13-14,19H,4-5,9-12H2,1-3H3.
What are the key properties of 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 289.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82462809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).