ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine

C12H30N2O — CID 155751833

IUPACethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
SMILESCC.CCCN(C)CCOCCNCC
InChIInChI=1S/C10H24N2O.C2H6/c1-4-7-12(3)8-10-13-9-6-11-5-2;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyAKESFPVDCHFKMK-UHFFFAOYSA-N
MW218.38 g/mol
LogP1.98
Rot. Bonds9

About ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine

ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine (PubChem CID 155751833) has the molecular formula C12H30N2O and a molecular weight of 218.38 g/mol. Its IUPAC name is ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
PubChem CID155751833
Molecular FormulaC12H30N2O
Molecular Weight218.38 g/mol
Exact Mass218.24
IUPAC Nameethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
SMILESCC.CCCN(C)CCOCCNCC
InChIInChI=1S/C10H24N2O.C2H6/c1-4-7-12(3)8-10-13-9-6-11-5-2;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyAKESFPVDCHFKMK-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine?
The IUPAC name of ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine (CID 155751833) is ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine.
What is the SMILES notation for ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine?
The canonical SMILES for ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine is CC.CCCN(C)CCOCCNCC.
What is the InChIKey of ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine?
The InChIKey is AKESFPVDCHFKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O.C2H6/c1-4-7-12(3)8-10-13-9-6-11-5-2;1-2/h11H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine?
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine has a molecular weight of 218.38 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 155751833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).