4-bromo-N-butylbutan-2-amine

C8H18BrN — CID 83187017

IUPAC4-bromo-N-butylbutan-2-amine
SMILESCCCCNC(C)CCBr
InChIInChI=1S/C8H18BrN/c1-3-4-7-10-8(2)5-6-9/h8,10H,3-7H2,1-2H3
InChIKeyUWSSRYFZIBSCRV-UHFFFAOYSA-N
MW208.14 g/mol
LogP2.55
Rot. Bonds6

About 4-bromo-N-butylbutan-2-amine

4-bromo-N-butylbutan-2-amine (PubChem CID 83187017) has the molecular formula C8H18BrN and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-bromo-N-butylbutan-2-amine.

Molecular Properties

Compound Name4-bromo-N-butylbutan-2-amine
PubChem CID83187017
Molecular FormulaC8H18BrN
Molecular Weight208.14 g/mol
Exact Mass207.06
IUPAC Name4-bromo-N-butylbutan-2-amine
SMILESCCCCNC(C)CCBr
InChIInChI=1S/C8H18BrN/c1-3-4-7-10-8(2)5-6-9/h8,10H,3-7H2,1-2H3
InChIKeyUWSSRYFZIBSCRV-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-butoxyethyl)butan-2-amine
CID 83186631
N-pentan-2-ylheptan-1-amine
CID 43129169
N-butylundecan-2-amine
CID 90035852
4-bromo-N-ethylbutan-2-amine
CID 83179522
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
N-octan-2-ylundecan-1-amine
CID 150124606
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylpent-4-yn-2-amine;ethane
CID 144551076
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
5-(pentan-2-ylamino)pentan-2-ol
CID 107270408

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butylbutan-2-amine?
The IUPAC name of 4-bromo-N-butylbutan-2-amine (CID 83187017) is 4-bromo-N-butylbutan-2-amine.
What is the SMILES notation for 4-bromo-N-butylbutan-2-amine?
The canonical SMILES for 4-bromo-N-butylbutan-2-amine is CCCCNC(C)CCBr.
What is the InChIKey of 4-bromo-N-butylbutan-2-amine?
The InChIKey is UWSSRYFZIBSCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrN/c1-3-4-7-10-8(2)5-6-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-bromo-N-butylbutan-2-amine?
4-bromo-N-butylbutan-2-amine has a molecular weight of 208.14 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butylbutan-2-amine is sourced from PubChem (CID 83187017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).