N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine

C12H26N2O2 — CID 103411100

IUPACN-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
SMILESCCCN(CCCOCCOC)C1CNC1
InChIInChI=1S/C12H26N2O2/c1-3-5-14(12-10-13-11-12)6-4-7-16-9-8-15-2/h12-13H,3-11H2,1-2H3
InChIKeyRDRUPZSHBLYHCX-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds10

About N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine

N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine (PubChem CID 103411100) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
PubChem CID103411100
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
SMILESCCCN(CCCOCCOC)C1CNC1
InChIInChI=1S/C12H26N2O2/c1-3-5-14(12-10-13-11-12)6-4-7-16-9-8-15-2/h12-13H,3-11H2,1-2H3
InChIKeyRDRUPZSHBLYHCX-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-N-propylazetidin-3-amine
CID 66215881
N-[3-(2-methoxyethoxy)propyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103411042
N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride
CID 122163592
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630
N-(3-pentoxypropyl)-N-propylcyclopropanamine
CID 156795180
3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
N-(2-butoxyethyl)-N-ethylazetidin-3-amine
CID 66182391
N-(3-methoxy-2-methylpropyl)-N-propylazetidin-3-amine
CID 116502188
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
CID 103413097
N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103181573
N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113437024
N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine
CID 81093197

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine (CID 103411100) is N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine is CCCN(CCCOCCOC)C1CNC1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine?
The InChIKey is RDRUPZSHBLYHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-14(12-10-13-11-12)6-4-7-16-9-8-15-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine?
N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 103411100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).