N-benzyl-5-bromo-2-methylpentan-1-amine

C13H20BrN — CID 130757770

IUPACN-benzyl-5-bromo-2-methylpentan-1-amine
SMILESCC(CCCBr)CNCc1ccccc1
InChIInChI=1S/C13H20BrN/c1-12(6-5-9-14)10-15-11-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3
InChIKeyQZYOJXIRQPSDKN-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.59
Rot. Bonds7

About N-benzyl-5-bromo-2-methylpentan-1-amine

N-benzyl-5-bromo-2-methylpentan-1-amine (PubChem CID 130757770) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-benzyl-5-bromo-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-benzyl-5-bromo-2-methylpentan-1-amine
PubChem CID130757770
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-benzyl-5-bromo-2-methylpentan-1-amine
SMILESCC(CCCBr)CNCc1ccccc1
InChIInChI=1S/C13H20BrN/c1-12(6-5-9-14)10-15-11-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3
InChIKeyQZYOJXIRQPSDKN-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-5-bromo-2-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-methyl-5-phenylpentan-1-amine
CID 19048188
N-benzyl-2-methylicosan-1-amine
CID 67811057
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N-benzyl-3-chloro-2-methylpropan-1-amine
CID 65031724
N-benzyl-2-methylpent-4-en-1-amine
CID 10487895
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-benzyl-3-carbazol-9-yl-2-methylpropan-1-amine
CID 100978353
N-benzyl-2-(4-bromophenyl)propan-1-amine
CID 67472007
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
ethyl 4-(benzylamino)-3-methylbutanoate
CID 174566345
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-2-methylpentan-1-amine?
The IUPAC name of N-benzyl-5-bromo-2-methylpentan-1-amine (CID 130757770) is N-benzyl-5-bromo-2-methylpentan-1-amine.
What is the SMILES notation for N-benzyl-5-bromo-2-methylpentan-1-amine?
The canonical SMILES for N-benzyl-5-bromo-2-methylpentan-1-amine is CC(CCCBr)CNCc1ccccc1.
What is the InChIKey of N-benzyl-5-bromo-2-methylpentan-1-amine?
The InChIKey is QZYOJXIRQPSDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-12(6-5-9-14)10-15-11-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3.
What are the key properties of N-benzyl-5-bromo-2-methylpentan-1-amine?
N-benzyl-5-bromo-2-methylpentan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-2-methylpentan-1-amine is sourced from PubChem (CID 130757770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).