1,5-dibromopentane;N,N-diethylethanamine

C11H25Br2N — CID 174758884

IUPAC1,5-dibromopentane;N,N-diethylethanamine
SMILESBrCCCCCBr.CCN(CC)CC
InChIInChI=1S/C6H15N.C5H10Br2/c1-4-7(5-2)6-3;6-4-2-1-3-5-7/h4-6H2,1-3H3;1-5H2
InChIKeyNRQOVOITYGQXNA-UHFFFAOYSA-N
MW331.14 g/mol
LogP4.29
Rot. Bonds7

About 1,5-dibromopentane;N,N-diethylethanamine

1,5-dibromopentane;N,N-diethylethanamine (PubChem CID 174758884) has the molecular formula C11H25Br2N and a molecular weight of 331.14 g/mol. Its IUPAC name is 1,5-dibromopentane;N,N-diethylethanamine.

Molecular Properties

Compound Name1,5-dibromopentane;N,N-diethylethanamine
PubChem CID174758884
Molecular FormulaC11H25Br2N
Molecular Weight331.14 g/mol
Exact Mass329.04
IUPAC Name1,5-dibromopentane;N,N-diethylethanamine
SMILESBrCCCCCBr.CCN(CC)CC
InChIInChI=1S/C6H15N.C5H10Br2/c1-4-7(5-2)6-3;6-4-2-1-3-5-7/h4-6H2,1-3H3;1-5H2
InChIKeyNRQOVOITYGQXNA-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,5-dibromopentane;N,N-diethylethanamine 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

1,4-dibromobutane;bis(N,N-diethylethanamine)
CID 90390168
1-bromohexadecane;N,N-diethylethanamine
CID 87113949
1-bromobutane;N,N-diethylethanamine
CID 87357591
1,40-dibromotetracontane
CID 11614635
N,N-diethylethanamine;ethane
CID 22114990
1-bromononadecane
CID 20496
1-bromooctadecane
CID 8218
1-bromooctane
CID 159764808
1-bromobutane;1,6-dibromohexane
CID 175305637
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
1-bromohexadecane;methane
CID 174415075
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromopentane;N,N-diethylethanamine?
The IUPAC name of 1,5-dibromopentane;N,N-diethylethanamine (CID 174758884) is 1,5-dibromopentane;N,N-diethylethanamine.
What is the SMILES notation for 1,5-dibromopentane;N,N-diethylethanamine?
The canonical SMILES for 1,5-dibromopentane;N,N-diethylethanamine is BrCCCCCBr.CCN(CC)CC.
What is the InChIKey of 1,5-dibromopentane;N,N-diethylethanamine?
The InChIKey is NRQOVOITYGQXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H10Br2/c1-4-7(5-2)6-3;6-4-2-1-3-5-7/h4-6H2,1-3H3;1-5H2.
What are the key properties of 1,5-dibromopentane;N,N-diethylethanamine?
1,5-dibromopentane;N,N-diethylethanamine has a molecular weight of 331.14 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromopentane;N,N-diethylethanamine is sourced from PubChem (CID 174758884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).