azane;N,N-dimethylmethanamine;octacosane;hydrochloride

C31H71ClN2 — CID 174624650

IUPACazane;N,N-dimethylmethanamine;octacosane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC.CN(C)C.Cl.N
InChIInChI=1S/C28H58.C3H9N.ClH.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4(2)3;;/h3-28H2,1-2H3;1-3H3;1H;1H3
InChIKeyIERXEJDTMMCOMI-UHFFFAOYSA-N
MW507.38 g/mol
LogP11.93
Rot. Bonds25

About azane;N,N-dimethylmethanamine;octacosane;hydrochloride

azane;N,N-dimethylmethanamine;octacosane;hydrochloride (PubChem CID 174624650) has the molecular formula C31H71ClN2 and a molecular weight of 507.38 g/mol. Its IUPAC name is azane;N,N-dimethylmethanamine;octacosane;hydrochloride.

Molecular Properties

Compound Nameazane;N,N-dimethylmethanamine;octacosane;hydrochloride
PubChem CID174624650
Molecular FormulaC31H71ClN2
Molecular Weight507.38 g/mol
Exact Mass506.53
IUPAC Nameazane;N,N-dimethylmethanamine;octacosane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC.CN(C)C.Cl.N
InChIInChI=1S/C28H58.C3H9N.ClH.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4(2)3;;/h3-28H2,1-2H3;1-3H3;1H;1H3
InChIKeyIERXEJDTMMCOMI-UHFFFAOYSA-N
XLogP11.93
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.38
LogP ≤ 511.93
H-Bond Donors ≤ 51
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
bis(N,N-dimethylmethanamine);undecane;dihydrobromide
CID 174667989
azane;tritriacontane;hydrochloride
CID 174841743
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
pentacosane;hydrochloride
CID 172714496
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
mercury;nonane
CID 174664970
nonadecane;hydrochloride
CID 172821128
azane;1-chlorohexadecane;N,N-dimethylmethanamine
CID 172752660
bis(octane);silane;dihydrochloride
CID 173470119
dodecane;phosphane;dihydrochloride
CID 173449681

Frequently Asked Questions

What is the IUPAC name of azane;N,N-dimethylmethanamine;octacosane;hydrochloride?
The IUPAC name of azane;N,N-dimethylmethanamine;octacosane;hydrochloride (CID 174624650) is azane;N,N-dimethylmethanamine;octacosane;hydrochloride.
What is the SMILES notation for azane;N,N-dimethylmethanamine;octacosane;hydrochloride?
The canonical SMILES for azane;N,N-dimethylmethanamine;octacosane;hydrochloride is CCCCCCCCCCCCCCCCCCCCCCCCCCCC.CN(C)C.Cl.N.
What is the InChIKey of azane;N,N-dimethylmethanamine;octacosane;hydrochloride?
The InChIKey is IERXEJDTMMCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58.C3H9N.ClH.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4(2)3;;/h3-28H2,1-2H3;1-3H3;1H;1H3.
What are the key properties of azane;N,N-dimethylmethanamine;octacosane;hydrochloride?
azane;N,N-dimethylmethanamine;octacosane;hydrochloride has a molecular weight of 507.38 g/mol, XLogP of 11.93, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-dimethylmethanamine;octacosane;hydrochloride is sourced from PubChem (CID 174624650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).