4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine

C13H28N2O3 — CID 115295426

IUPAC4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine
SMILESCOCCCN(CCOC)CC1(N)CCOCC1
InChIInChI=1S/C13H28N2O3/c1-16-8-3-6-15(7-11-17-2)12-13(14)4-9-18-10-5-13/h3-12,14H2,1-2H3
InChIKeyCKWJOVRRDPCWHF-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.48
Rot. Bonds9

About 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine

4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine (PubChem CID 115295426) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine
PubChem CID115295426
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine
SMILESCOCCCN(CCOC)CC1(N)CCOCC1
InChIInChI=1S/C13H28N2O3/c1-16-8-3-6-15(7-11-17-2)12-13(14)4-9-18-10-5-13/h3-12,14H2,1-2H3
InChIKeyCKWJOVRRDPCWHF-UHFFFAOYSA-N
XLogP0.48
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.48
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

3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
CID 64893853
3-[[bis(2-methoxyethyl)amino]methyl]oxolan-3-amine
CID 64893649
4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine
CID 103339286
1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine
CID 79841843
3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-amine
CID 64893861
4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxan-4-amine
CID 115295435
4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]oxan-4-amine
CID 113280948
4-(2-methoxyethyl)oxan-4-amine
CID 63220638
3-[[2-methoxyethyl(methyl)amino]methyl]oxolan-3-amine
CID 64893461
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxane-4-carboxamide
CID 115294429
N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65009847
N-[[1-(bromomethyl)cycloheptyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65010281

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine?
The IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine (CID 115295426) is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine is COCCCN(CCOC)CC1(N)CCOCC1.
What is the InChIKey of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine?
The InChIKey is CKWJOVRRDPCWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-16-8-3-6-15(7-11-17-2)12-13(14)4-9-18-10-5-13/h3-12,14H2,1-2H3.
What are the key properties of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine?
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine has a molecular weight of 260.38 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 115295426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).