N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine

C12H25NO4 — CID 104560665

IUPACN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
SMILESCOCCOCCOCCOCCNC1CC1
InChIInChI=1S/C12H25NO4/c1-14-6-7-16-10-11-17-9-8-15-5-4-13-12-2-3-12/h12-13H,2-11H2,1H3
InChIKeyJDLJNHDKCAOPTE-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.43
Rot. Bonds13

About N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine

N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine (PubChem CID 104560665) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
PubChem CID104560665
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC NameN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
SMILESCOCCOCCOCCOCCNC1CC1
InChIInChI=1S/C12H25NO4/c1-14-6-7-16-10-11-17-9-8-15-5-4-13-12-2-3-12/h12-13H,2-11H2,1H3
InChIKeyJDLJNHDKCAOPTE-UHFFFAOYSA-N
XLogP0.43
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine
CID 79741587
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-[3-(2-methoxyethoxy)propyl]piperidin-4-amine
CID 61016689
N-[3-(2-methoxyethoxy)propyl]-4-methylcycloheptan-1-amine
CID 65081277
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542
N-[3-(2-methoxyethoxy)propyl]-1-methylpiperidin-4-amine
CID 28720517
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine
CID 70234735
N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine
CID 103409551
N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 103179062
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64724806
N-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropyl]cyclopropanamine
CID 103075099

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine (CID 104560665) is N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine is COCCOCCOCCOCCNC1CC1.
What is the InChIKey of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine?
The InChIKey is JDLJNHDKCAOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-14-6-7-16-10-11-17-9-8-15-5-4-13-12-2-3-12/h12-13H,2-11H2,1H3.
What are the key properties of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine?
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine has a molecular weight of 247.33 g/mol, XLogP of 0.43, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 104560665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).