1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine

C13H30Br2N2 — CID 24769

IUPAC1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine
SMILESBrCCCBr.CN(C)CCCCCCN(C)C
InChIInChI=1S/C10H24N2.C3H6Br2/c1-11(2)9-7-5-6-8-10-12(3)4;4-2-1-3-5/h5-10H2,1-4H3;1-3H2
InChIKeyKZKAYEGOIJEWQB-UHFFFAOYSA-N
MW374.21 g/mol
LogP3.84
Rot. Bonds9

About 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine

1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine (PubChem CID 24769) has the molecular formula C13H30Br2N2 and a molecular weight of 374.21 g/mol. Its IUPAC name is 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine.

Molecular Properties

Compound Name1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine
PubChem CID24769
Molecular FormulaC13H30Br2N2
Molecular Weight374.21 g/mol
Exact Mass372.08
IUPAC Name1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine
SMILESBrCCCBr.CN(C)CCCCCCN(C)C
InChIInChI=1S/C10H24N2.C3H6Br2/c1-11(2)9-7-5-6-8-10-12(3)4;4-2-1-3-5/h5-10H2,1-4H3;1-3H2
InChIKeyKZKAYEGOIJEWQB-UHFFFAOYSA-N
XLogP3.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 53.84
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine?
The IUPAC name of 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine (CID 24769) is 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine.
What is the SMILES notation for 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine?
The canonical SMILES for 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine is BrCCCBr.CN(C)CCCCCCN(C)C.
What is the InChIKey of 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine?
The InChIKey is KZKAYEGOIJEWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.C3H6Br2/c1-11(2)9-7-5-6-8-10-12(3)4;4-2-1-3-5/h5-10H2,1-4H3;1-3H2.
What are the key properties of 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine?
1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine has a molecular weight of 374.21 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine is sourced from PubChem (CID 24769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).