3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide

C14H26N6 — CID 87960870

IUPAC3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide
SMILESC=CC/N=C(\N)C(C)C/N=N/CC(C)/C(N)=N/CC=C
InChIInChI=1S/C14H26N6/c1-5-7-17-13(15)11(3)9-19-20-10-12(4)14(16)18-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3,(H2,15,17)(H2,16,18)/b20-19+
InChIKeyCDAUJJQKCWDTKU-FMQUCBEESA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds10

About 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide

3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide (PubChem CID 87960870) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide.

Molecular Properties

Compound Name3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide
PubChem CID87960870
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide
SMILESC=CC/N=C(\N)C(C)C/N=N/CC(C)/C(N)=N/CC=C
InChIInChI=1S/C14H26N6/c1-5-7-17-13(15)11(3)9-19-20-10-12(4)14(16)18-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3,(H2,15,17)(H2,16,18)/b20-19+
InChIKeyCDAUJJQKCWDTKU-FMQUCBEESA-N
XLogP1.80
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide 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 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide?
The IUPAC name of 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide (CID 87960870) is 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide.
What is the SMILES notation for 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide?
The canonical SMILES for 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide is C=CC/N=C(\N)C(C)C/N=N/CC(C)/C(N)=N/CC=C.
What is the InChIKey of 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide?
The InChIKey is CDAUJJQKCWDTKU-FMQUCBEESA-N. The full InChI is InChI=1S/C14H26N6/c1-5-7-17-13(15)11(3)9-19-20-10-12(4)14(16)18-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3,(H2,15,17)(H2,16,18)/b20-19+.
What are the key properties of 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide?
3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide has a molecular weight of 278.40 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide is sourced from PubChem (CID 87960870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).