N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine

C11H24BrN — CID 107859023

IUPACN-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(CBr)C(C)C
InChIInChI=1S/C11H24BrN/c1-5-10(6-2)8-13-11(7-12)9(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyZBSGXPODFWQZRD-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.43
Rot. Bonds7

About N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine

N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine (PubChem CID 107859023) has the molecular formula C11H24BrN and a molecular weight of 250.22 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine
PubChem CID107859023
Molecular FormulaC11H24BrN
Molecular Weight250.22 g/mol
Exact Mass249.11
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(CBr)C(C)C
InChIInChI=1S/C11H24BrN/c1-5-10(6-2)8-13-11(7-12)9(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyZBSGXPODFWQZRD-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 43085320
N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
CID 115718044
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine
CID 43769902
methyl (2S)-2-(2-ethylbutylamino)propanoate
CID 43723607
ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044
2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine
CID 154691714
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
ethane;3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412122
1-bromo-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 107859179
1-bromo-3-methyl-N-(3-methylsulfonylpropyl)butan-2-amine
CID 107859068
2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 61469518

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine (CID 107859023) is N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine is CCC(CC)CNC(CBr)C(C)C.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine?
The InChIKey is ZBSGXPODFWQZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrN/c1-5-10(6-2)8-13-11(7-12)9(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine?
N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine has a molecular weight of 250.22 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine is sourced from PubChem (CID 107859023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).