bromomethane;N,N-dibutylbutan-1-amine

C13H30BrN — CID 87916924

IUPACbromomethane;N,N-dibutylbutan-1-amine
SMILESCBr.CCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N.CH3Br/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2/h4-12H2,1-3H3;1H3
InChIKeyHOJZUMGLTMHJPZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.70
Rot. Bonds9

About bromomethane;N,N-dibutylbutan-1-amine

bromomethane;N,N-dibutylbutan-1-amine (PubChem CID 87916924) has the molecular formula C13H30BrN and a molecular weight of 280.29 g/mol. Its IUPAC name is bromomethane;N,N-dibutylbutan-1-amine.

Molecular Properties

Compound Namebromomethane;N,N-dibutylbutan-1-amine
PubChem CID87916924
Molecular FormulaC13H30BrN
Molecular Weight280.29 g/mol
Exact Mass279.16
IUPAC Namebromomethane;N,N-dibutylbutan-1-amine
SMILESCBr.CCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N.CH3Br/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2/h4-12H2,1-3H3;1H3
InChIKeyHOJZUMGLTMHJPZ-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N,N-dibutylpentadecan-1-amine
CID 4175227
N-(2-bromoethyl)-N-propylbutan-1-amine
CID 80672792
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761

Frequently Asked Questions

What is the IUPAC name of bromomethane;N,N-dibutylbutan-1-amine?
The IUPAC name of bromomethane;N,N-dibutylbutan-1-amine (CID 87916924) is bromomethane;N,N-dibutylbutan-1-amine.
What is the SMILES notation for bromomethane;N,N-dibutylbutan-1-amine?
The canonical SMILES for bromomethane;N,N-dibutylbutan-1-amine is CBr.CCCCN(CCCC)CCCC.
What is the InChIKey of bromomethane;N,N-dibutylbutan-1-amine?
The InChIKey is HOJZUMGLTMHJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.CH3Br/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2/h4-12H2,1-3H3;1H3.
What are the key properties of bromomethane;N,N-dibutylbutan-1-amine?
bromomethane;N,N-dibutylbutan-1-amine has a molecular weight of 280.29 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;N,N-dibutylbutan-1-amine is sourced from PubChem (CID 87916924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).