N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide

C10H17N5 — CID 90453570

IUPACN'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide
SMILESC=C/C=N\N=C\C(=C\CNC)N/C=N/C
InChIInChI=1S/C10H17N5/c1-4-6-14-15-8-10(5-7-11-2)13-9-12-3/h4-6,8-9,11H,1,7H2,2-3H3,(H,12,13)/b10-5-,14-6-,15-8+
InChIKeyVSJQNJBBHGKXAI-YPRNCKMWSA-N
MW207.28 g/mol
LogP0.58
Rot. Bonds7

About N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide

N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide (PubChem CID 90453570) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide
PubChem CID90453570
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide
SMILESC=C/C=N\N=C\C(=C\CNC)N/C=N/C
InChIInChI=1S/C10H17N5/c1-4-6-14-15-8-10(5-7-11-2)13-9-12-3/h4-6,8-9,11H,1,7H2,2-3H3,(H,12,13)/b10-5-,14-6-,15-8+
InChIKeyVSJQNJBBHGKXAI-YPRNCKMWSA-N
XLogP0.58
TPSA61.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide (CID 90453570) is N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide is C=C/C=N\N=C\C(=C\CNC)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide?
The InChIKey is VSJQNJBBHGKXAI-YPRNCKMWSA-N. The full InChI is InChI=1S/C10H17N5/c1-4-6-14-15-8-10(5-7-11-2)13-9-12-3/h4-6,8-9,11H,1,7H2,2-3H3,(H,12,13)/b10-5-,14-6-,15-8+.
What are the key properties of N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide?
N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide has a molecular weight of 207.28 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide is sourced from PubChem (CID 90453570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).