N,N-dimethyldodecan-1-amine;hypobromous acid

C14H32BrNO — CID 175692920

IUPACN,N-dimethyldodecan-1-amine;hypobromous acid
SMILESCCCCCCCCCCCCN(C)C.OBr
InChIInChI=1S/C14H31N.BrHO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2/h4-14H2,1-3H3;2H
InChIKeySSKOCBYZXZGMQS-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.76
Rot. Bonds11

About N,N-dimethyldodecan-1-amine;hypobromous acid

N,N-dimethyldodecan-1-amine;hypobromous acid (PubChem CID 175692920) has the molecular formula C14H32BrNO and a molecular weight of 310.32 g/mol. Its IUPAC name is N,N-dimethyldodecan-1-amine;hypobromous acid.

Molecular Properties

Compound NameN,N-dimethyldodecan-1-amine;hypobromous acid
PubChem CID175692920
Molecular FormulaC14H32BrNO
Molecular Weight310.32 g/mol
Exact Mass309.17
IUPAC NameN,N-dimethyldodecan-1-amine;hypobromous acid
SMILESCCCCCCCCCCCCN(C)C.OBr
InChIInChI=1S/C14H31N.BrHO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2/h4-14H2,1-3H3;2H
InChIKeySSKOCBYZXZGMQS-UHFFFAOYSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.76
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-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldodecan-1-amine;hypobromous acid?
The IUPAC name of N,N-dimethyldodecan-1-amine;hypobromous acid (CID 175692920) is N,N-dimethyldodecan-1-amine;hypobromous acid.
What is the SMILES notation for N,N-dimethyldodecan-1-amine;hypobromous acid?
The canonical SMILES for N,N-dimethyldodecan-1-amine;hypobromous acid is CCCCCCCCCCCCN(C)C.OBr.
What is the InChIKey of N,N-dimethyldodecan-1-amine;hypobromous acid?
The InChIKey is SSKOCBYZXZGMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.BrHO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2/h4-14H2,1-3H3;2H.
What are the key properties of N,N-dimethyldodecan-1-amine;hypobromous acid?
N,N-dimethyldodecan-1-amine;hypobromous acid has a molecular weight of 310.32 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodecan-1-amine;hypobromous acid is sourced from PubChem (CID 175692920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).