[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine

C16H22N2O — CID 117399804

IUPAC[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
SMILESCOc1ccc2c(ccn2C)c1C1(CN)CCCC1
InChIInChI=1S/C16H22N2O/c1-18-10-7-12-13(18)5-6-14(19-2)15(12)16(11-17)8-3-4-9-16/h5-7,10H,3-4,8-9,11,17H2,1-2H3
InChIKeyHWUJWHWHNUFGAQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.96
Rot. Bonds3

About [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine

[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine (PubChem CID 117399804) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
PubChem CID117399804
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
SMILESCOc1ccc2c(ccn2C)c1C1(CN)CCCC1
InChIInChI=1S/C16H22N2O/c1-18-10-7-12-13(18)5-6-14(19-2)15(12)16(11-17)8-3-4-9-16/h5-7,10H,3-4,8-9,11,17H2,1-2H3
InChIKeyHWUJWHWHNUFGAQ-UHFFFAOYSA-N
XLogP2.96
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
1-[1-(5-methoxy-1-methylindol-4-yl)cyclopropyl]ethanamine
CID 117363094
[1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine
CID 117443469
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine
CID 117294860
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine
CID 95432617
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
[1-(1-methylindol-5-yl)cyclohexyl]methanamine
CID 117358358

Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine (CID 117399804) is [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine is COc1ccc2c(ccn2C)c1C1(CN)CCCC1.
What is the InChIKey of [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine?
The InChIKey is HWUJWHWHNUFGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-10-7-12-13(18)5-6-14(19-2)15(12)16(11-17)8-3-4-9-16/h5-7,10H,3-4,8-9,11,17H2,1-2H3.
What are the key properties of [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine?
[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine has a molecular weight of 258.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117399804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).