N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine

C16H24N2O — CID 59274109

IUPACN-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine
SMILESCN1Cc2ccc(OCCNC3CCCC3)cc2C1
InChIInChI=1S/C16H24N2O/c1-18-11-13-6-7-16(10-14(13)12-18)19-9-8-17-15-4-2-3-5-15/h6-7,10,15,17H,2-5,8-9,11-12H2,1H3
InChIKeyRKWRQLULRSCVFE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.54
Rot. Bonds5

About N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine

N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine (PubChem CID 59274109) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine
PubChem CID59274109
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine
SMILESCN1Cc2ccc(OCCNC3CCCC3)cc2C1
InChIInChI=1S/C16H24N2O/c1-18-11-13-6-7-16(10-14(13)12-18)19-9-8-17-15-4-2-3-5-15/h6-7,10,15,17H,2-5,8-9,11-12H2,1H3
InChIKeyRKWRQLULRSCVFE-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.54
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

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
N-[2-(3-methylsulfonylphenoxy)ethyl]cycloheptanamine
CID 62583799
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine (CID 59274109) is N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine is CN1Cc2ccc(OCCNC3CCCC3)cc2C1.
What is the InChIKey of N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine?
The InChIKey is RKWRQLULRSCVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-11-13-6-7-16(10-14(13)12-18)19-9-8-17-15-4-2-3-5-15/h6-7,10,15,17H,2-5,8-9,11-12H2,1H3.
What are the key properties of N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine?
N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine has a molecular weight of 260.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine is sourced from PubChem (CID 59274109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).