2-methylnonacosan-2-amine;hydrobromide

C30H64BrN — CID 174437586

IUPAC2-methylnonacosan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C30H63N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)31;/h4-29,31H2,1-3H3;1H
InChIKeyBWBFDMIAMSZVCP-UHFFFAOYSA-N
MW518.75 g/mol
LogP11.46
Rot. Bonds26

About 2-methylnonacosan-2-amine;hydrobromide

2-methylnonacosan-2-amine;hydrobromide (PubChem CID 174437586) has the molecular formula C30H64BrN and a molecular weight of 518.75 g/mol. Its IUPAC name is 2-methylnonacosan-2-amine;hydrobromide.

Molecular Properties

Compound Name2-methylnonacosan-2-amine;hydrobromide
PubChem CID174437586
Molecular FormulaC30H64BrN
Molecular Weight518.75 g/mol
Exact Mass517.42
IUPAC Name2-methylnonacosan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C30H63N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)31;/h4-29,31H2,1-3H3;1H
InChIKeyBWBFDMIAMSZVCP-UHFFFAOYSA-N
XLogP11.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.75
LogP ≤ 511.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2,4,4-trimethyldodecan-2-amine
CID 88894727
methyl hydrogen sulfate;2-methylnonadecan-2-amine
CID 173392018
tetracosane-6,6-diamine
CID 154005419
11-decylhenicosan-11-amine
CID 19847882
nonane-1,1,1-triamine
CID 18954154
2,2-dimethylundecane;hydrobromide
CID 172814192
3-methyloctadecan-3-amine
CID 54058172
11-methyldodecane-1,11-diamine;propane
CID 145179809

Frequently Asked Questions

What is the IUPAC name of 2-methylnonacosan-2-amine;hydrobromide?
The IUPAC name of 2-methylnonacosan-2-amine;hydrobromide (CID 174437586) is 2-methylnonacosan-2-amine;hydrobromide.
What is the SMILES notation for 2-methylnonacosan-2-amine;hydrobromide?
The canonical SMILES for 2-methylnonacosan-2-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)N.
What is the InChIKey of 2-methylnonacosan-2-amine;hydrobromide?
The InChIKey is BWBFDMIAMSZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)31;/h4-29,31H2,1-3H3;1H.
What are the key properties of 2-methylnonacosan-2-amine;hydrobromide?
2-methylnonacosan-2-amine;hydrobromide has a molecular weight of 518.75 g/mol, XLogP of 11.46, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonacosan-2-amine;hydrobromide is sourced from PubChem (CID 174437586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).