N-ethenyl-N'-methyl-N-propylpropanimidamide

C9H18N2 — CID 90299348

IUPACN-ethenyl-N'-methyl-N-propylpropanimidamide
SMILESC=CN(CCC)/C(CC)=N/C
InChIInChI=1S/C9H18N2/c1-5-8-11(7-3)9(6-2)10-4/h7H,3,5-6,8H2,1-2,4H3/b10-9+
InChIKeyJFEVVHWVCPSMMC-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds4

About N-ethenyl-N'-methyl-N-propylpropanimidamide

N-ethenyl-N'-methyl-N-propylpropanimidamide (PubChem CID 90299348) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-N-propylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-N-propylpropanimidamide
PubChem CID90299348
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethenyl-N'-methyl-N-propylpropanimidamide
SMILESC=CN(CCC)/C(CC)=N/C
InChIInChI=1S/C9H18N2/c1-5-8-11(7-3)9(6-2)10-4/h7H,3,5-6,8H2,1-2,4H3/b10-9+
InChIKeyJFEVVHWVCPSMMC-MDZDMXLPSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methyl-N-propylpropanimidamide?
The IUPAC name of N-ethenyl-N'-methyl-N-propylpropanimidamide (CID 90299348) is N-ethenyl-N'-methyl-N-propylpropanimidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-N-propylpropanimidamide?
The canonical SMILES for N-ethenyl-N'-methyl-N-propylpropanimidamide is C=CN(CCC)/C(CC)=N/C.
What is the InChIKey of N-ethenyl-N'-methyl-N-propylpropanimidamide?
The InChIKey is JFEVVHWVCPSMMC-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8-11(7-3)9(6-2)10-4/h7H,3,5-6,8H2,1-2,4H3/b10-9+.
What are the key properties of N-ethenyl-N'-methyl-N-propylpropanimidamide?
N-ethenyl-N'-methyl-N-propylpropanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.28, 4 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-propylpropanimidamide is sourced from PubChem (CID 90299348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).