3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium

C13H30N3O2+ — CID 20586813

IUPAC3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium
SMILESCNCCC[N+](C)(CCCNCOC)CC1CO1
InChIInChI=1S/C13H30N3O2/c1-14-6-4-8-16(2,10-13-11-18-13)9-5-7-15-12-17-3/h13-15H,4-12H2,1-3H3/q+1
InChIKeyFNFNQNCNQABREP-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.02
Rot. Bonds12

About 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium

3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium (PubChem CID 20586813) has the molecular formula C13H30N3O2+ and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium.

Molecular Properties

Compound Name3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium
PubChem CID20586813
Molecular FormulaC13H30N3O2+
Molecular Weight260.40 g/mol
Exact Mass260.23
IUPAC Name3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium
SMILESCNCCC[N+](C)(CCCNCOC)CC1CO1
InChIInChI=1S/C13H30N3O2/c1-14-6-4-8-16(2,10-13-11-18-13)9-5-7-15-12-17-3/h13-15H,4-12H2,1-3H3/q+1
InChIKeyFNFNQNCNQABREP-UHFFFAOYSA-N
XLogP0.02
TPSA45.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium with MolForge

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Related Compounds

N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 23313972
N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine
CID 57320157
N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 80397876
N',N'-dimethylpropane-1,3-diamine;N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 87489103
N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 87489104
1-N',1-N'-dimethylpropane-1,1-diamine;1-N'-(oxiran-2-ylmethyl)propane-1,1-diamine
CID 87489106
1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine
CID 88668248
N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine
CID 88786116
2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine
CID 88794038
N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine
CID 88829947
N'-(2,3-dimethoxypropyl)-N'-methylpropane-1,3-diamine
CID 89488905
3-[(Dimethylamino)methyl]oxiran-2-amine
CID 89546518

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium?
The IUPAC name of 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium (CID 20586813) is 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium.
What is the SMILES notation for 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium?
The canonical SMILES for 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium is CNCCC[N+](C)(CCCNCOC)CC1CO1.
What is the InChIKey of 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium?
The InChIKey is FNFNQNCNQABREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N3O2/c1-14-6-4-8-16(2,10-13-11-18-13)9-5-7-15-12-17-3/h13-15H,4-12H2,1-3H3/q+1.
What are the key properties of 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium?
3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium has a molecular weight of 260.40 g/mol, XLogP of 0.02, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylamino)propyl-methyl-[3-(methylamino)propyl]-(oxiran-2-ylmethyl)azanium is sourced from PubChem (CID 20586813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).