3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine

C11H26N2O2 — CID 103226294

IUPAC3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)CCOC
InChIInChI=1S/C11H26N2O2/c1-5-6-12-9-11(10-15-4)13(2)7-8-14-3/h11-12H,5-10H2,1-4H3
InChIKeyRVNFDUDZXRCLLM-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.58
Rot. Bonds10

About 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine

3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine (PubChem CID 103226294) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
PubChem CID103226294
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)CCOC
InChIInChI=1S/C11H26N2O2/c1-5-6-12-9-11(10-15-4)13(2)7-8-14-3/h11-12H,5-10H2,1-4H3
InChIKeyRVNFDUDZXRCLLM-UHFFFAOYSA-N
XLogP0.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.58
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

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
CID 103225186
3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine
CID 103227188
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664
3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 103226561
2-N-[(2-bromophenyl)methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226067
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine (CID 103226294) is 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine is CCCNCC(COC)N(C)CCOC.
What is the InChIKey of 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The InChIKey is RVNFDUDZXRCLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-5-6-12-9-11(10-15-4)13(2)7-8-14-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 0.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103226294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).