bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride

C20H42Cl2N2 — CID 173431091

IUPACbis(N,N-diethylethanamine);1,4-xylene;dihydrochloride
SMILESCCN(CC)CC.CCN(CC)CC.Cc1ccc(C)cc1.Cl.Cl
InChIInChI=1S/C8H10.2C6H15N.2ClH/c1-7-3-5-8(2)6-4-7;2*1-4-7(5-2)6-3;;/h3-6H,1-2H3;2*4-6H2,1-3H3;2*1H
InChIKeyTUWVADPBRNIZQN-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.84
Rot. Bonds6

About bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride

bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride (PubChem CID 173431091) has the molecular formula C20H42Cl2N2 and a molecular weight of 381.48 g/mol. Its IUPAC name is bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride.

Molecular Properties

Compound Namebis(N,N-diethylethanamine);1,4-xylene;dihydrochloride
PubChem CID173431091
Molecular FormulaC20H42Cl2N2
Molecular Weight381.48 g/mol
Exact Mass380.27
IUPAC Namebis(N,N-diethylethanamine);1,4-xylene;dihydrochloride
SMILESCCN(CC)CC.CCN(CC)CC.Cc1ccc(C)cc1.Cl.Cl
InChIInChI=1S/C8H10.2C6H15N.2ClH/c1-7-3-5-8(2)6-4-7;2*1-4-7(5-2)6-3;;/h3-6H,1-2H3;2*4-6H2,1-3H3;2*1H
InChIKeyTUWVADPBRNIZQN-UHFFFAOYSA-N
XLogP5.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylethanamine;(4-methylphenyl)hydrazine;hydrochloride
CID 86685442
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
benzene;N,N-diethylethanamine;hydrochloride
CID 173044195
N,N-diethylethanamine;1-methyl-4-propylsulfonylbenzene
CID 90732645
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
alumane;N,N-diethylethanamine;hydrochloride
CID 173388642
N,N-diethylethanamine;zinc;dihydrochloride
CID 175296051
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;pyridine;toluene;hydrate
CID 66718455

Frequently Asked Questions

What is the IUPAC name of bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride?
The IUPAC name of bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride (CID 173431091) is bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride.
What is the SMILES notation for bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride?
The canonical SMILES for bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride is CCN(CC)CC.CCN(CC)CC.Cc1ccc(C)cc1.Cl.Cl.
What is the InChIKey of bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride?
The InChIKey is TUWVADPBRNIZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C6H15N.2ClH/c1-7-3-5-8(2)6-4-7;2*1-4-7(5-2)6-3;;/h3-6H,1-2H3;2*4-6H2,1-3H3;2*1H.
What are the key properties of bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride?
bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride has a molecular weight of 381.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride is sourced from PubChem (CID 173431091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).