N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide

C9H16N2 — CID 155442205

IUPACN'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide
SMILESC=C/N=C/N(C)CCC(=C)C
InChIInChI=1S/C9H16N2/c1-5-10-8-11(4)7-6-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
InChIKeyRXHMRRWGFJXPSQ-CSKARUKUSA-N
MW152.24 g/mol
LogP2.06
Rot. Bonds5

About N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide

N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide (PubChem CID 155442205) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide
PubChem CID155442205
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide
SMILESC=C/N=C/N(C)CCC(=C)C
InChIInChI=1S/C9H16N2/c1-5-10-8-11(4)7-6-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
InChIKeyRXHMRRWGFJXPSQ-CSKARUKUSA-N
XLogP2.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide?
The IUPAC name of N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide (CID 155442205) is N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide.
What is the SMILES notation for N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide?
The canonical SMILES for N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide is C=C/N=C/N(C)CCC(=C)C.
What is the InChIKey of N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide?
The InChIKey is RXHMRRWGFJXPSQ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-10-8-11(4)7-6-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+.
What are the key properties of N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide?
N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide is sourced from PubChem (CID 155442205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).