ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine

C15H36N2O — CID 166168805

IUPACethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine
SMILESCC.CCN(C)CCN(C)CCCOCC(C)C
InChIInChI=1S/C13H30N2O.C2H6/c1-6-14(4)9-10-15(5)8-7-11-16-12-13(2)3;1-2/h13H,6-12H2,1-5H3;1-2H3
InChIKeyIUDZOTWSYLDFON-UHFFFAOYSA-N
MW260.47 g/mol
LogP2.96
Rot. Bonds10

About ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine

ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine (PubChem CID 166168805) has the molecular formula C15H36N2O and a molecular weight of 260.47 g/mol. Its IUPAC name is ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine
PubChem CID166168805
Molecular FormulaC15H36N2O
Molecular Weight260.47 g/mol
Exact Mass260.28
IUPAC Nameethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine
SMILESCC.CCN(C)CCN(C)CCCOCC(C)C
InChIInChI=1S/C13H30N2O.C2H6/c1-6-14(4)9-10-15(5)8-7-11-16-12-13(2)3;1-2/h13H,6-12H2,1-5H3;1-2H3
InChIKeyIUDZOTWSYLDFON-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium
CID 46898
Triethyl-[3-[3-[ethyl(dimethyl)azaniumyl]propoxy]propyl]azanium
CID 45803
Diethyl-methyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 45818
3-[3-[Diethyl(methyl)azaniumyl]propoxy]propyl-diethyl-methylazanium
CID 46894
Ethyl-[3-[3-[ethyl(dimethyl)azaniumyl]propoxy]propyl]-dimethylazanium
CID 46896
3-[3-(diethylamino)propoxy]-N,N-diethylpropan-1-amine
CID 20257333
3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine
CID 20603113
5,8,11-Trimethyl-1-oxa-5,8,11-triazacyclotetradecane
CID 20610194
2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 54515766
3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
CID 57137042
N'-(3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
CID 57580005
N-ethyl-3-methoxy-N,2-dimethylpropan-1-amine
CID 58585712

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine?
The IUPAC name of ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine (CID 166168805) is ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine is CC.CCN(C)CCN(C)CCCOCC(C)C.
What is the InChIKey of ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine?
The InChIKey is IUDZOTWSYLDFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O.C2H6/c1-6-14(4)9-10-15(5)8-7-11-16-12-13(2)3;1-2/h13H,6-12H2,1-5H3;1-2H3.
What are the key properties of ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine?
ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine has a molecular weight of 260.47 g/mol, XLogP of 2.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 166168805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).