2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine

C13H28BrN — CID 64998595

IUPAC2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine
SMILESCCCCN(CC)CC(CC)(CC)CBr
InChIInChI=1S/C13H28BrN/c1-5-9-10-15(8-4)12-13(6-2,7-3)11-14/h5-12H2,1-4H3
InChIKeyOHMNPXPRHMFGEF-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.31
Rot. Bonds9

About 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine

2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine (PubChem CID 64998595) has the molecular formula C13H28BrN and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine
PubChem CID64998595
Molecular FormulaC13H28BrN
Molecular Weight278.28 g/mol
Exact Mass277.14
IUPAC Name2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine
SMILESCCCCN(CC)CC(CC)(CC)CBr
InChIInChI=1S/C13H28BrN/c1-5-9-10-15(8-4)12-13(6-2,7-3)11-14/h5-12H2,1-4H3
InChIKeyOHMNPXPRHMFGEF-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.31
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'-butyl-N',2,2-triethylpropane-1,3-diamine
CID 62262666
2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 65003436
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
CID 65004000
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
CID 54545518
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine (CID 64998595) is 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine is CCCCN(CC)CC(CC)(CC)CBr.
What is the InChIKey of 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine?
The InChIKey is OHMNPXPRHMFGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrN/c1-5-9-10-15(8-4)12-13(6-2,7-3)11-14/h5-12H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine?
2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine has a molecular weight of 278.28 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine is sourced from PubChem (CID 64998595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).