(Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide

C14H25BrN4 — CID 144528709

IUPAC(Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide
SMILESC=C(CC)C/C(N)=C(C(/Br)=N/C)\C(=N\C)NC(C)C
InChIInChI=1S/C14H25BrN4/c1-7-10(4)8-11(16)12(13(15)17-5)14(18-6)19-9(2)3/h9H,4,7-8,16H2,1-3,5-6H3,(H,18,19)/b12-11+,17-13-
InChIKeySLHYNTMZFZCWGM-VBEVGYOXSA-N
MW329.29 g/mol
LogP3.01
Rot. Bonds6

About (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide

(Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide (PubChem CID 144528709) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide.

Molecular Properties

Compound Name(Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide
PubChem CID144528709
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name(Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide
SMILESC=C(CC)C/C(N)=C(C(/Br)=N/C)\C(=N\C)NC(C)C
InChIInChI=1S/C14H25BrN4/c1-7-10(4)8-11(16)12(13(15)17-5)14(18-6)19-9(2)3/h9H,4,7-8,16H2,1-3,5-6H3,(H,18,19)/b12-11+,17-13-
InChIKeySLHYNTMZFZCWGM-VBEVGYOXSA-N
XLogP3.01
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine
CID 137247912
(5E)-N'-butyl-5-methyl-N-prop-1-en-2-yl-1,2,3,4,7,8-hexahydroazocine-6-carboximidamide
CID 145481650

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide?
The IUPAC name of (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide (CID 144528709) is (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide.
What is the SMILES notation for (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide?
The canonical SMILES for (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide is C=C(CC)C/C(N)=C(C(/Br)=N/C)\C(=N\C)NC(C)C.
What is the InChIKey of (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide?
The InChIKey is SLHYNTMZFZCWGM-VBEVGYOXSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-7-10(4)8-11(16)12(13(15)17-5)14(18-6)19-9(2)3/h9H,4,7-8,16H2,1-3,5-6H3,(H,18,19)/b12-11+,17-13-.
What are the key properties of (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide?
(Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide has a molecular weight of 329.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-methyl-5-methylidene-2-(N'-methyl-N-propan-2-ylcarbamimidoyl)hept-2-enimidoyl bromide is sourced from PubChem (CID 144528709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).