12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine

C15H32BrN3 — CID 174311921

IUPAC12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine
SMILESCNC(=CCBr)CCCC(CCCC(C)NC)NC
InChIInChI=1S/C15H32BrN3/c1-13(17-2)7-5-8-14(18-3)9-6-10-15(19-4)11-12-16/h11,13-14,17-19H,5-10,12H2,1-4H3
InChIKeyAKXPONJXBULUHW-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.02
Rot. Bonds12

About 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine

12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine (PubChem CID 174311921) has the molecular formula C15H32BrN3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine.

Molecular Properties

Compound Name12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine
PubChem CID174311921
Molecular FormulaC15H32BrN3
Molecular Weight334.35 g/mol
Exact Mass333.18
IUPAC Name12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine
SMILESCNC(=CCBr)CCCC(CCCC(C)NC)NC
InChIInChI=1S/C15H32BrN3/c1-13(17-2)7-5-8-14(18-3)9-6-10-15(19-4)11-12-16/h11,13-14,17-19H,5-10,12H2,1-4H3
InChIKeyAKXPONJXBULUHW-UHFFFAOYSA-N
XLogP3.02
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine?
The IUPAC name of 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine (CID 174311921) is 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine.
What is the SMILES notation for 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine?
The canonical SMILES for 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine is CNC(=CCBr)CCCC(CCCC(C)NC)NC.
What is the InChIKey of 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine?
The InChIKey is AKXPONJXBULUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32BrN3/c1-13(17-2)7-5-8-14(18-3)9-6-10-15(19-4)11-12-16/h11,13-14,17-19H,5-10,12H2,1-4H3.
What are the key properties of 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine?
12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine has a molecular weight of 334.35 g/mol, XLogP of 3.02, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-2-N,6-N,10-N-trimethyldodec-10-ene-2,6,10-triamine is sourced from PubChem (CID 174311921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).