N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide

C9H17N3 — CID 137433089

IUPACN-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide
SMILESC=CN/C=N/C/C=N/CC(C)C
InChIInChI=1S/C9H17N3/c1-4-10-8-12-6-5-11-7-9(2)3/h4-5,8-9H,1,6-7H2,2-3H3,(H,10,12)/b11-5+
InChIKeyWZJKGAMBIDRDJN-VZUCSPMQSA-N
MW167.26 g/mol
LogP1.47
Rot. Bonds6

About N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide

N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide (PubChem CID 137433089) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide
PubChem CID137433089
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide
SMILESC=CN/C=N/C/C=N/CC(C)C
InChIInChI=1S/C9H17N3/c1-4-10-8-12-6-5-11-7-9(2)3/h4-5,8-9H,1,6-7H2,2-3H3,(H,10,12)/b11-5+
InChIKeyWZJKGAMBIDRDJN-VZUCSPMQSA-N
XLogP1.47
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide?
The IUPAC name of N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide (CID 137433089) is N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide.
What is the SMILES notation for N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide?
The canonical SMILES for N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide is C=CN/C=N/C/C=N/CC(C)C.
What is the InChIKey of N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide?
The InChIKey is WZJKGAMBIDRDJN-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-10-8-12-6-5-11-7-9(2)3/h4-5,8-9H,1,6-7H2,2-3H3,(H,10,12)/b11-5+.
What are the key properties of N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide?
N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide is sourced from PubChem (CID 137433089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).