(1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine

C8H15BrN2 — CID 89105679

IUPAC(1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine
SMILESCC(=C/N(C)C)/C=C(/Br)CN
InChIInChI=1S/C8H15BrN2/c1-7(6-11(2)3)4-8(9)5-10/h4,6H,5,10H2,1-3H3/b7-6-,8-4+
InChIKeyWFKAFHZAMAILPT-AKAREZBESA-N
MW219.13 g/mol
LogP1.69
Rot. Bonds3

About (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine

(1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine (PubChem CID 89105679) has the molecular formula C8H15BrN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine
PubChem CID89105679
Molecular FormulaC8H15BrN2
Molecular Weight219.13 g/mol
Exact Mass218.04
IUPAC Name(1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine
SMILESCC(=C/N(C)C)/C=C(/Br)CN
InChIInChI=1S/C8H15BrN2/c1-7(6-11(2)3)4-8(9)5-10/h4,6H,5,10H2,1-3H3/b7-6-,8-4+
InChIKeyWFKAFHZAMAILPT-AKAREZBESA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine?
The IUPAC name of (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine (CID 89105679) is (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine?
The canonical SMILES for (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine is CC(=C/N(C)C)/C=C(/Br)CN.
What is the InChIKey of (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine?
The InChIKey is WFKAFHZAMAILPT-AKAREZBESA-N. The full InChI is InChI=1S/C8H15BrN2/c1-7(6-11(2)3)4-8(9)5-10/h4,6H,5,10H2,1-3H3/b7-6-,8-4+.
What are the key properties of (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine?
(1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine has a molecular weight of 219.13 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-bromo-N,N,2-trimethylpenta-1,3-diene-1,5-diamine is sourced from PubChem (CID 89105679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).