bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide

C32H74Br2N2 — CID 175534819

IUPACbis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC.CCCCCCCCN(C)C.CCCCCCCCN(C)C
InChIInChI=1S/C12H26.2C10H23N.2BrH/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-4-5-6-7-8-9-10-11(2)3;;/h3-12H2,1-2H3;2*4-10H2,1-3H3;2*1H
InChIKeyITJPPEJEGDUMNI-UHFFFAOYSA-N
MW646.77 g/mol
LogP11.90
Rot. Bonds23

About bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide

bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide (PubChem CID 175534819) has the molecular formula C32H74Br2N2 and a molecular weight of 646.77 g/mol. Its IUPAC name is bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide.

Molecular Properties

Compound Namebis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
PubChem CID175534819
Molecular FormulaC32H74Br2N2
Molecular Weight646.77 g/mol
Exact Mass644.42
IUPAC Namebis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC.CCCCCCCCN(C)C.CCCCCCCCN(C)C
InChIInChI=1S/C12H26.2C10H23N.2BrH/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-4-5-6-7-8-9-10-11(2)3;;/h3-12H2,1-2H3;2*4-10H2,1-3H3;2*1H
InChIKeyITJPPEJEGDUMNI-UHFFFAOYSA-N
XLogP11.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.77
LogP ≤ 511.90
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-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide?
The IUPAC name of bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide (CID 175534819) is bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide.
What is the SMILES notation for bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide?
The canonical SMILES for bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide is Br.Br.CCCCCCCCCCCC.CCCCCCCCN(C)C.CCCCCCCCN(C)C.
What is the InChIKey of bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide?
The InChIKey is ITJPPEJEGDUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.2C10H23N.2BrH/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-4-5-6-7-8-9-10-11(2)3;;/h3-12H2,1-2H3;2*4-10H2,1-3H3;2*1H.
What are the key properties of bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide?
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide has a molecular weight of 646.77 g/mol, XLogP of 11.90, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide is sourced from PubChem (CID 175534819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).