(Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide

C10H18BrN3 — CID 123261618

IUPAC(Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide
SMILESC/N=C(N)/C(/C=C\C(C)Br)=N\C(C)C
InChIInChI=1S/C10H18BrN3/c1-7(2)14-9(10(12)13-4)6-5-8(3)11/h5-8H,1-4H3,(H2,12,13)/b6-5-,14-9-
InChIKeyBEJVDAJRPCXUSE-ZQOLMBSDSA-N
MW260.18 g/mol
LogP2.16
Rot. Bonds4

About (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide

(Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide (PubChem CID 123261618) has the molecular formula C10H18BrN3 and a molecular weight of 260.18 g/mol. Its IUPAC name is (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide.

Molecular Properties

Compound Name(Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide
PubChem CID123261618
Molecular FormulaC10H18BrN3
Molecular Weight260.18 g/mol
Exact Mass259.07
IUPAC Name(Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide
SMILESC/N=C(N)/C(/C=C\C(C)Br)=N\C(C)C
InChIInChI=1S/C10H18BrN3/c1-7(2)14-9(10(12)13-4)6-5-8(3)11/h5-8H,1-4H3,(H2,12,13)/b6-5-,14-9-
InChIKeyBEJVDAJRPCXUSE-ZQOLMBSDSA-N
XLogP2.16
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.16
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': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide 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 (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide?
The IUPAC name of (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide (CID 123261618) is (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide.
What is the SMILES notation for (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide?
The canonical SMILES for (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide is C/N=C(N)/C(/C=C\C(C)Br)=N\C(C)C.
What is the InChIKey of (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide?
The InChIKey is BEJVDAJRPCXUSE-ZQOLMBSDSA-N. The full InChI is InChI=1S/C10H18BrN3/c1-7(2)14-9(10(12)13-4)6-5-8(3)11/h5-8H,1-4H3,(H2,12,13)/b6-5-,14-9-.
What are the key properties of (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide?
(Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide has a molecular weight of 260.18 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-bromo-N'-methyl-2-propan-2-yliminohex-3-enimidamide is sourced from PubChem (CID 123261618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).