N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine

C15H28N2O3 — CID 70234735

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine
SMILESCOCCOCCOCCNC1CCC2=C(CNC2)C1
InChIInChI=1S/C15H28N2O3/c1-18-6-7-20-9-8-19-5-4-17-15-3-2-13-11-16-12-14(13)10-15/h15-17H,2-12H2,1H3
InChIKeyRKZWZWMJIKIQNY-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.71
Rot. Bonds10

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine (PubChem CID 70234735) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine
PubChem CID70234735
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine
SMILESCOCCOCCOCCNC1CCC2=C(CNC2)C1
InChIInChI=1S/C15H28N2O3/c1-18-6-7-20-9-8-19-5-4-17-15-3-2-13-11-16-12-14(13)10-15/h15-17H,2-12H2,1H3
InChIKeyRKZWZWMJIKIQNY-UHFFFAOYSA-N
XLogP0.71
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine
CID 79741587
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
CID 114155915
N-[3-(2-methoxyethoxy)propyl]piperidin-4-amine
CID 61016689
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104562707
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426
N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 103179062
2-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707310
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64724806
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine (CID 70234735) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine is COCCOCCOCCNC1CCC2=C(CNC2)C1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine?
The InChIKey is RKZWZWMJIKIQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-18-6-7-20-9-8-19-5-4-17-15-3-2-13-11-16-12-14(13)10-15/h15-17H,2-12H2,1H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine has a molecular weight of 284.40 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine is sourced from PubChem (CID 70234735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).