propane;N,N',N'-triethylethane-1,2-diamine

C11H28N2 — CID 157059256

IUPACpropane;N,N',N'-triethylethane-1,2-diamine
SMILESCCC.CCNCCN(CC)CC
InChIInChI=1S/C8H20N2.C3H8/c1-4-9-7-8-10(5-2)6-3;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyABCYJILAROPTIM-UHFFFAOYSA-N
MW188.36 g/mol
LogP2.35
Rot. Bonds6

About propane;N,N',N'-triethylethane-1,2-diamine

propane;N,N',N'-triethylethane-1,2-diamine (PubChem CID 157059256) has the molecular formula C11H28N2 and a molecular weight of 188.36 g/mol. Its IUPAC name is propane;N,N',N'-triethylethane-1,2-diamine.

Molecular Properties

Compound Namepropane;N,N',N'-triethylethane-1,2-diamine
PubChem CID157059256
Molecular FormulaC11H28N2
Molecular Weight188.36 g/mol
Exact Mass188.23
IUPAC Namepropane;N,N',N'-triethylethane-1,2-diamine
SMILESCCC.CCNCCN(CC)CC
InChIInChI=1S/C8H20N2.C3H8/c1-4-9-7-8-10(5-2)6-3;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyABCYJILAROPTIM-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
N,N'-diethyl-N'-hexadecylethane-1,2-diamine
CID 154098014
bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride
CID 139141366
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine
CID 106725718
azane;N,N-diethylethanamine;N-ethylethanamine
CID 172815091
N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
CID 70821539
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60684295

Frequently Asked Questions

What is the IUPAC name of propane;N,N',N'-triethylethane-1,2-diamine?
The IUPAC name of propane;N,N',N'-triethylethane-1,2-diamine (CID 157059256) is propane;N,N',N'-triethylethane-1,2-diamine.
What is the SMILES notation for propane;N,N',N'-triethylethane-1,2-diamine?
The canonical SMILES for propane;N,N',N'-triethylethane-1,2-diamine is CCC.CCNCCN(CC)CC.
What is the InChIKey of propane;N,N',N'-triethylethane-1,2-diamine?
The InChIKey is ABCYJILAROPTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C3H8/c1-4-9-7-8-10(5-2)6-3;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of propane;N,N',N'-triethylethane-1,2-diamine?
propane;N,N',N'-triethylethane-1,2-diamine has a molecular weight of 188.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N,N',N'-triethylethane-1,2-diamine is sourced from PubChem (CID 157059256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).