1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)

C20H38Br2N2 — CID 87473317

IUPAC1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)
SMILESBrCCCCCCBr.C=CCN(C)CC=C.C=CCN(C)CC=C
InChIInChI=1S/2C7H13N.C6H12Br2/c2*1-4-6-8(3)7-5-2;7-5-3-1-2-4-6-8/h2*4-5H,1-2,6-7H2,3H3;1-6H2
InChIKeyHCTZMNRMVKZCNY-UHFFFAOYSA-N
MW466.35 g/mol
LogP5.92
Rot. Bonds13

About 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)

1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine) (PubChem CID 87473317) has the molecular formula C20H38Br2N2 and a molecular weight of 466.35 g/mol. Its IUPAC name is 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine).

Molecular Properties

Compound Name1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)
PubChem CID87473317
Molecular FormulaC20H38Br2N2
Molecular Weight466.35 g/mol
Exact Mass464.14
IUPAC Name1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)
SMILESBrCCCCCCBr.C=CCN(C)CC=C.C=CCN(C)CC=C
InChIInChI=1S/2C7H13N.C6H12Br2/c2*1-4-6-8(3)7-5-2;7-5-3-1-2-4-6-8/h2*4-5H,1-2,6-7H2,3H3;1-6H2
InChIKeyHCTZMNRMVKZCNY-UHFFFAOYSA-N
XLogP5.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.35
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-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

Frequently Asked Questions

What is the IUPAC name of 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)?
The IUPAC name of 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine) (CID 87473317) is 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine).
What is the SMILES notation for 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)?
The canonical SMILES for 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine) is BrCCCCCCBr.C=CCN(C)CC=C.C=CCN(C)CC=C.
What is the InChIKey of 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)?
The InChIKey is HCTZMNRMVKZCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N.C6H12Br2/c2*1-4-6-8(3)7-5-2;7-5-3-1-2-4-6-8/h2*4-5H,1-2,6-7H2,3H3;1-6H2.
What are the key properties of 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine)?
1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine) has a molecular weight of 466.35 g/mol, XLogP of 5.92, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibromohexane;bis(N-methyl-N-prop-2-enylprop-2-en-1-amine) is sourced from PubChem (CID 87473317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).