N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine

C11H24BrNO — CID 83168230

IUPACN-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine
SMILESCOCC(Br)CN(C)CCCC(C)C
InChIInChI=1S/C11H24BrNO/c1-10(2)6-5-7-13(3)8-11(12)9-14-4/h10-11H,5-9H2,1-4H3
InChIKeyGVJRKKJNTUBIPO-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.76
Rot. Bonds8

About N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine

N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine (PubChem CID 83168230) has the molecular formula C11H24BrNO and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine
PubChem CID83168230
Molecular FormulaC11H24BrNO
Molecular Weight266.22 g/mol
Exact Mass265.10
IUPAC NameN-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine
SMILESCOCC(Br)CN(C)CCCC(C)C
InChIInChI=1S/C11H24BrNO/c1-10(2)6-5-7-13(3)8-11(12)9-14-4/h10-11H,5-9H2,1-4H3
InChIKeyGVJRKKJNTUBIPO-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 80690277
N-(2-bromo-3-methoxypropyl)-N,3-dimethylbutane-1-sulfonamide
CID 80673815
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile
CID 115254673
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
ethane;5-methoxy-N,N,4-trimethylpentan-1-amine
CID 143609953
3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine
CID 103413177

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine (CID 83168230) is N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine is COCC(Br)CN(C)CCCC(C)C.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine?
The InChIKey is GVJRKKJNTUBIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO/c1-10(2)6-5-7-13(3)8-11(12)9-14-4/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine?
N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine has a molecular weight of 266.22 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 83168230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).