ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine

C9H24N2O — CID 142094887

IUPACethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine
SMILESCC.CCOCCNCCNC
InChIInChI=1S/C7H18N2O.C2H6/c1-3-10-7-6-9-5-4-8-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyNHUVLGIMFYEXIL-UHFFFAOYSA-N
MW176.30 g/mol
LogP0.86
Rot. Bonds7

About ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine

ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine (PubChem CID 142094887) has the molecular formula C9H24N2O and a molecular weight of 176.30 g/mol. Its IUPAC name is ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine
PubChem CID142094887
Molecular FormulaC9H24N2O
Molecular Weight176.30 g/mol
Exact Mass176.19
IUPAC Nameethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine
SMILESCC.CCOCCNCCNC
InChIInChI=1S/C7H18N2O.C2H6/c1-3-10-7-6-9-5-4-8-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyNHUVLGIMFYEXIL-UHFFFAOYSA-N
XLogP0.86
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,7-Dioxa-4,10-diazacyclododecane
CID 67522
2-Propanamine, N,N'-(oxydi-2,1-ethanediyl)bis-
CID 469935
1-Oxa-4,7,10-triazacyclododecane
CID 771596
Bis(2-ethoxyethyl)amine
CID 547396
Methyl(2-(morpholin-4-yl)ethyl)amine
CID 14979282
1-(2-Methoxyethyl)piperazine
CID 2734638
1-(2-Ethoxyethyl)piperazine
CID 2734643
N-(2-(4-Morpholinyl)ethyl)ethylenediamine
CID 79726
(2-Ethoxyethyl)(ethyl)amine
CID 520890
1-(2-Propoxyethyl)piperazine
CID 2760475
1,2-Ethanediamine, N,N-bis(2-methoxyethyl)-
CID 7138275
N-Ethyl-2-(morpholin-4-yl)ethan-1-amine
CID 14518967

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The IUPAC name of ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine (CID 142094887) is ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine is CC.CCOCCNCCNC.
What is the InChIKey of ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The InChIKey is NHUVLGIMFYEXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.C2H6/c1-3-10-7-6-9-5-4-8-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine has a molecular weight of 176.30 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 142094887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).