N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)

C19H41N5O — CID 145166782

IUPACN,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)
SMILESCC.CC.CCN(CC)CCOC.Cn1ccnc1.Cn1ccnc1
InChIInChI=1S/C7H17NO.2C4H6N2.2C2H6/c1-4-8(5-2)6-7-9-3;2*1-6-3-2-5-4-6;2*1-2/h4-7H2,1-3H3;2*2-4H,1H3;2*1-2H3
InChIKeyPRNCVCISPPIFMS-UHFFFAOYSA-N
MW355.57 g/mol
LogP3.87
Rot. Bonds5

About N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)

N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole) (PubChem CID 145166782) has the molecular formula C19H41N5O and a molecular weight of 355.57 g/mol. Its IUPAC name is N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole).

Molecular Properties

Compound NameN,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)
PubChem CID145166782
Molecular FormulaC19H41N5O
Molecular Weight355.57 g/mol
Exact Mass355.33
IUPAC NameN,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)
SMILESCC.CC.CCN(CC)CCOC.Cn1ccnc1.Cn1ccnc1
InChIInChI=1S/C7H17NO.2C4H6N2.2C2H6/c1-4-8(5-2)6-7-9-3;2*1-6-3-2-5-4-6;2*1-2/h4-7H2,1-3H3;2*2-4H,1H3;2*1-2H3
InChIKeyPRNCVCISPPIFMS-UHFFFAOYSA-N
XLogP3.87
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 173148040
ethene;1-methylimidazole
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2-methylbutane;1-methylimidazole
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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)?
The IUPAC name of N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole) (CID 145166782) is N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole).
What is the SMILES notation for N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)?
The canonical SMILES for N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole) is CC.CC.CCN(CC)CCOC.Cn1ccnc1.Cn1ccnc1.
What is the InChIKey of N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)?
The InChIKey is PRNCVCISPPIFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.2C4H6N2.2C2H6/c1-4-8(5-2)6-7-9-3;2*1-6-3-2-5-4-6;2*1-2/h4-7H2,1-3H3;2*2-4H,1H3;2*1-2H3.
What are the key properties of N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole)?
N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole) has a molecular weight of 355.57 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxyethanamine;ethane;bis(1-methylimidazole) is sourced from PubChem (CID 145166782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).