4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline

C17H25NO — CID 64500639

IUPAC4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccc(OC3CCCC3)cc2)C1
InChIInChI=1S/C17H25NO/c1-13-6-7-15(12-13)18-14-8-10-17(11-9-14)19-16-4-2-3-5-16/h8-11,13,15-16,18H,2-7,12H2,1H3
InChIKeyGMYPTVFUZOVTLA-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.61
Rot. Bonds4

About 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline

4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline (PubChem CID 64500639) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
PubChem CID64500639
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccc(OC3CCCC3)cc2)C1
InChIInChI=1S/C17H25NO/c1-13-6-7-15(12-13)18-14-8-10-17(11-9-14)19-16-4-2-3-5-16/h8-11,13,15-16,18H,2-7,12H2,1H3
InChIKeyGMYPTVFUZOVTLA-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
CID 64501251
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
4-bromo-N-(3-methylcyclopentyl)aniline
CID 64501647
4-cycloheptyloxy-N-methylaniline
CID 82930112
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661973
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393
5-(4-cyclobutyloxyphenyl)-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 46239078
4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
CID 43726303
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline (CID 64500639) is 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline is CC1CCC(Nc2ccc(OC3CCCC3)cc2)C1.
What is the InChIKey of 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline?
The InChIKey is GMYPTVFUZOVTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-6-7-15(12-13)18-14-8-10-17(11-9-14)19-16-4-2-3-5-16/h8-11,13,15-16,18H,2-7,12H2,1H3.
What are the key properties of 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline?
4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline has a molecular weight of 259.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64500639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).