1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine

C14H32N2O3 — CID 104562116

IUPAC1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCCOCCOCCOC
InChIInChI=1S/C14H32N2O3/c1-5-16(6-2)13-14(3)15-7-8-18-11-12-19-10-9-17-4/h14-15H,5-13H2,1-4H3
InChIKeyFDUPNQRLBZCPTC-UHFFFAOYSA-N
MW276.42 g/mol
LogP0.99
Rot. Bonds14

About 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine

1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine (PubChem CID 104562116) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine
PubChem CID104562116
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCCOCCOCCOC
InChIInChI=1S/C14H32N2O3/c1-5-16(6-2)13-14(3)15-7-8-18-11-12-19-10-9-17-4/h14-15H,5-13H2,1-4H3
InChIKeyFDUPNQRLBZCPTC-UHFFFAOYSA-N
XLogP0.99
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 50.99
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

1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine
CID 103178871
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
1-N,1-N-dimethyl-2-N-(2-propoxyethyl)propane-1,2-diamine
CID 106452397
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106450224
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 104561963
N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
N-(2-methoxyethyl)butan-2-amine
CID 43190188
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
4-bromo-N-[3-(2-methoxyethoxy)propyl]pentan-2-amine
CID 103413145

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine (CID 104562116) is 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine is CCN(CC)CC(C)NCCOCCOCCOC.
What is the InChIKey of 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine?
The InChIKey is FDUPNQRLBZCPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c1-5-16(6-2)13-14(3)15-7-8-18-11-12-19-10-9-17-4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine?
1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 0.99, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine is sourced from PubChem (CID 104562116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).