1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine

C13H30N2O2 — CID 103178871

IUPAC1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCCOCCCOC
InChIInChI=1S/C13H30N2O2/c1-5-15(6-2)12-13(3)14-8-11-17-10-7-9-16-4/h13-14H,5-12H2,1-4H3
InChIKeyZRWUILCHEFIPHK-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.36
Rot. Bonds12

About 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine

1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine (PubChem CID 103178871) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine
PubChem CID103178871
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCCOCCCOC
InChIInChI=1S/C13H30N2O2/c1-5-15(6-2)12-13(3)14-8-11-17-10-7-9-16-4/h13-14H,5-12H2,1-4H3
InChIKeyZRWUILCHEFIPHK-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.36
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

1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine
CID 104562116
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040
N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine
CID 103179557
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 103178774
2-(3-methoxypropoxy)-N-(2-methylpropoxy)ethanamine
CID 103179336
1-N,1-N-dimethyl-2-N-(2-propoxyethyl)propane-1,2-diamine
CID 106452397
N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine
CID 106229065
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine (CID 103178871) is 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine is CCN(CC)CC(C)NCCOCCCOC.
What is the InChIKey of 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine?
The InChIKey is ZRWUILCHEFIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-15(6-2)12-13(3)14-8-11-17-10-7-9-16-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine?
1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.36, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103178871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).