(1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine

C7H11BrN2 — CID 126641634

IUPAC(1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C/CBr)NC
InChIInChI=1S/C7H11BrN2/c1-9-7(10-2)5-3-4-6-8/h3-5,10H,1,6H2,2H3/b4-3-,7-5+
InChIKeyCFJBEBBVLQSXRP-QVXLNCAUSA-N
MW203.08 g/mol
LogP1.70
Rot. Bonds4

About (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine

(1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine (PubChem CID 126641634) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
PubChem CID126641634
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name(1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C/CBr)NC
InChIInChI=1S/C7H11BrN2/c1-9-7(10-2)5-3-4-6-8/h3-5,10H,1,6H2,2H3/b4-3-,7-5+
InChIKeyCFJBEBBVLQSXRP-QVXLNCAUSA-N
XLogP1.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine (CID 126641634) is (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine is C=N/C(=C\C=C/CBr)NC.
What is the InChIKey of (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The InChIKey is CFJBEBBVLQSXRP-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-9-7(10-2)5-3-4-6-8/h3-5,10H,1,6H2,2H3/b4-3-,7-5+.
What are the key properties of (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
(1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine has a molecular weight of 203.08 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine is sourced from PubChem (CID 126641634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).