N-bromotridecan-1-amine;N,N-dimethylmethanamine

C16H37BrN2 — CID 174706275

IUPACN-bromotridecan-1-amine;N,N-dimethylmethanamine
SMILESCCCCCCCCCCCCCNBr.CN(C)C
InChIInChI=1S/C13H28BrN.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14;1-4(2)3/h15H,2-13H2,1H3;1-3H3
InChIKeyFUCGZMOTDOURMJ-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.37
Rot. Bonds12

About N-bromotridecan-1-amine;N,N-dimethylmethanamine

N-bromotridecan-1-amine;N,N-dimethylmethanamine (PubChem CID 174706275) has the molecular formula C16H37BrN2 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-bromotridecan-1-amine;N,N-dimethylmethanamine.

Molecular Properties

Compound NameN-bromotridecan-1-amine;N,N-dimethylmethanamine
PubChem CID174706275
Molecular FormulaC16H37BrN2
Molecular Weight337.39 g/mol
Exact Mass336.21
IUPAC NameN-bromotridecan-1-amine;N,N-dimethylmethanamine
SMILESCCCCCCCCCCCCCNBr.CN(C)C
InChIInChI=1S/C13H28BrN.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14;1-4(2)3/h15H,2-13H2,1H3;1-3H3
InChIKeyFUCGZMOTDOURMJ-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-bromooctan-1-amine
CID 89240139
N-bromopentadecan-1-amine
CID 174706274
N-bromohexadecan-1-amine;iron
CID 174774540
N,N-dimethylmethanamine;tridecane
CID 174432259
bis(N,N-dimethylmethanamine);undecane;dihydrobromide
CID 174667989
azane;N,N-dimethylmethanamine;octacosane;hydrochloride
CID 174624650
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
mercury;nonane
CID 174664970
N,N'-diheptylhexane-1,6-diamine
CID 3028571
1-decyl-2-octylhydrazine
CID 154085192
1,2-diheptylhydrazine
CID 11195547
N-hexyltridecan-1-amine
CID 87659278

Frequently Asked Questions

What is the IUPAC name of N-bromotridecan-1-amine;N,N-dimethylmethanamine?
The IUPAC name of N-bromotridecan-1-amine;N,N-dimethylmethanamine (CID 174706275) is N-bromotridecan-1-amine;N,N-dimethylmethanamine.
What is the SMILES notation for N-bromotridecan-1-amine;N,N-dimethylmethanamine?
The canonical SMILES for N-bromotridecan-1-amine;N,N-dimethylmethanamine is CCCCCCCCCCCCCNBr.CN(C)C.
What is the InChIKey of N-bromotridecan-1-amine;N,N-dimethylmethanamine?
The InChIKey is FUCGZMOTDOURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrN.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14;1-4(2)3/h15H,2-13H2,1H3;1-3H3.
What are the key properties of N-bromotridecan-1-amine;N,N-dimethylmethanamine?
N-bromotridecan-1-amine;N,N-dimethylmethanamine has a molecular weight of 337.39 g/mol, XLogP of 5.37, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromotridecan-1-amine;N,N-dimethylmethanamine is sourced from PubChem (CID 174706275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).