1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine

C10H23NO4 — CID 176738271

IUPAC1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
SMILESCNC(COCCOC)COCCOC
InChIInChI=1S/C10H23NO4/c1-11-10(8-14-6-4-12-2)9-15-7-5-13-3/h10-11H,4-9H2,1-3H3
InChIKeyCDQIOJFEFOAJTK-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.10
Rot. Bonds11

About 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine

1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine (PubChem CID 176738271) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
PubChem CID176738271
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
SMILESCNC(COCCOC)COCCOC
InChIInChI=1S/C10H23NO4/c1-11-10(8-14-6-4-12-2)9-15-7-5-13-3/h10-11H,4-9H2,1-3H3
InChIKeyCDQIOJFEFOAJTK-UHFFFAOYSA-N
XLogP-0.10
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.10
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

4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
CID 64899711
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylpropan-2-amine
CID 104560632
1-[2-(2-methoxyethoxy)ethoxy]-N-methylpropan-2-amine
CID 104560820
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine
CID 107506641
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567739
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
1-ethoxy-N-methyl-3-propoxypropan-2-amine
CID 79574489

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine?
The IUPAC name of 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine (CID 176738271) is 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine.
What is the SMILES notation for 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine?
The canonical SMILES for 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine is CNC(COCCOC)COCCOC.
What is the InChIKey of 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine?
The InChIKey is CDQIOJFEFOAJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4/c1-11-10(8-14-6-4-12-2)9-15-7-5-13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine?
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine has a molecular weight of 221.30 g/mol, XLogP of -0.10, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine is sourced from PubChem (CID 176738271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).