bis(N,N-dimethylmethanamine);undecane;dihydrobromide

C17H44Br2N2 — CID 174667989

IUPACbis(N,N-dimethylmethanamine);undecane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCC.CN(C)C.CN(C)C
InChIInChI=1S/C11H24.2C3H9N.2BrH/c1-3-5-7-9-11-10-8-6-4-2;2*1-4(2)3;;/h3-11H2,1-2H3;2*1-3H3;2*1H
InChIKeyCTIBOGUKBVZJGQ-UHFFFAOYSA-N
MW436.36 g/mol
LogP6.05
Rot. Bonds8

About bis(N,N-dimethylmethanamine);undecane;dihydrobromide

bis(N,N-dimethylmethanamine);undecane;dihydrobromide (PubChem CID 174667989) has the molecular formula C17H44Br2N2 and a molecular weight of 436.36 g/mol. Its IUPAC name is bis(N,N-dimethylmethanamine);undecane;dihydrobromide.

Molecular Properties

Compound Namebis(N,N-dimethylmethanamine);undecane;dihydrobromide
PubChem CID174667989
Molecular FormulaC17H44Br2N2
Molecular Weight436.36 g/mol
Exact Mass434.19
IUPAC Namebis(N,N-dimethylmethanamine);undecane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCC.CN(C)C.CN(C)C
InChIInChI=1S/C11H24.2C3H9N.2BrH/c1-3-5-7-9-11-10-8-6-4-2;2*1-4(2)3;;/h3-11H2,1-2H3;2*1-3H3;2*1H
InChIKeyCTIBOGUKBVZJGQ-UHFFFAOYSA-N
XLogP6.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.36
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;tridecane
CID 174432259
azane;N,N-dimethylmethanamine;octacosane;hydrochloride
CID 174624650
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
mercury;nonane
CID 174664970
undecane;dihydrobromide
CID 172838591
azane;bis(octadecane);hydrobromide
CID 174053735
icosane;phosphane;hydrobromide
CID 172836983
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylmethanamine);undecane;dihydrobromide?
The IUPAC name of bis(N,N-dimethylmethanamine);undecane;dihydrobromide (CID 174667989) is bis(N,N-dimethylmethanamine);undecane;dihydrobromide.
What is the SMILES notation for bis(N,N-dimethylmethanamine);undecane;dihydrobromide?
The canonical SMILES for bis(N,N-dimethylmethanamine);undecane;dihydrobromide is Br.Br.CCCCCCCCCCC.CN(C)C.CN(C)C.
What is the InChIKey of bis(N,N-dimethylmethanamine);undecane;dihydrobromide?
The InChIKey is CTIBOGUKBVZJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.2C3H9N.2BrH/c1-3-5-7-9-11-10-8-6-4-2;2*1-4(2)3;;/h3-11H2,1-2H3;2*1-3H3;2*1H.
What are the key properties of bis(N,N-dimethylmethanamine);undecane;dihydrobromide?
bis(N,N-dimethylmethanamine);undecane;dihydrobromide has a molecular weight of 436.36 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylmethanamine);undecane;dihydrobromide is sourced from PubChem (CID 174667989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).