N,N-dimethylpentacosan-1-amine;hydrobromide

C27H58BrN — CID 174802696

IUPACN,N-dimethylpentacosan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C27H57N.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(2)3;/h4-27H2,1-3H3;1H
InChIKeyROJIAJMZPSGONH-UHFFFAOYSA-N
MW476.67 g/mol
LogP10.12
Rot. Bonds24

About N,N-dimethylpentacosan-1-amine;hydrobromide

N,N-dimethylpentacosan-1-amine;hydrobromide (PubChem CID 174802696) has the molecular formula C27H58BrN and a molecular weight of 476.67 g/mol. Its IUPAC name is N,N-dimethylpentacosan-1-amine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethylpentacosan-1-amine;hydrobromide
PubChem CID174802696
Molecular FormulaC27H58BrN
Molecular Weight476.67 g/mol
Exact Mass475.38
IUPAC NameN,N-dimethylpentacosan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C27H57N.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(2)3;/h4-27H2,1-3H3;1H
InChIKeyROJIAJMZPSGONH-UHFFFAOYSA-N
XLogP10.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
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 N,N-dimethylpentacosan-1-amine;hydrobromide?
The IUPAC name of N,N-dimethylpentacosan-1-amine;hydrobromide (CID 174802696) is N,N-dimethylpentacosan-1-amine;hydrobromide.
What is the SMILES notation for N,N-dimethylpentacosan-1-amine;hydrobromide?
The canonical SMILES for N,N-dimethylpentacosan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethylpentacosan-1-amine;hydrobromide?
The InChIKey is ROJIAJMZPSGONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N.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(2)3;/h4-27H2,1-3H3;1H.
What are the key properties of N,N-dimethylpentacosan-1-amine;hydrobromide?
N,N-dimethylpentacosan-1-amine;hydrobromide has a molecular weight of 476.67 g/mol, XLogP of 10.12, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpentacosan-1-amine;hydrobromide is sourced from PubChem (CID 174802696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).