N,N-dimethylhexadecan-1-amine;hydrobromide

C18H40BrN — CID 71365203

IUPACN,N-dimethylhexadecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C18H39N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H
InChIKeyVHDPPDRSCMVFAV-UHFFFAOYSA-N
MW350.43 g/mol
LogP6.61
Rot. Bonds15

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

N,N-dimethylhexadecan-1-amine;hydrobromide (PubChem CID 71365203) has the molecular formula C18H40BrN and a molecular weight of 350.43 g/mol. Its IUPAC name is N,N-dimethylhexadecan-1-amine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethylhexadecan-1-amine;hydrobromide
PubChem CID71365203
Molecular FormulaC18H40BrN
Molecular Weight350.43 g/mol
Exact Mass349.23
IUPAC NameN,N-dimethylhexadecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C18H39N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H
InChIKeyVHDPPDRSCMVFAV-UHFFFAOYSA-N
XLogP6.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 56.61
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-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
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-dimethylhexadecan-1-amine;hydrobromide?
The IUPAC name of N,N-dimethylhexadecan-1-amine;hydrobromide (CID 71365203) is N,N-dimethylhexadecan-1-amine;hydrobromide.
What is the SMILES notation for N,N-dimethylhexadecan-1-amine;hydrobromide?
The canonical SMILES for N,N-dimethylhexadecan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethylhexadecan-1-amine;hydrobromide?
The InChIKey is VHDPPDRSCMVFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H.
What are the key properties of N,N-dimethylhexadecan-1-amine;hydrobromide?
N,N-dimethylhexadecan-1-amine;hydrobromide has a molecular weight of 350.43 g/mol, XLogP of 6.61, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhexadecan-1-amine;hydrobromide is sourced from PubChem (CID 71365203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).