N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide

C10H20N2 — CID 123174184

IUPACN'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide
SMILESCCCN(C=C(C)C)/C(C)=N/C
InChIInChI=1S/C10H20N2/c1-6-7-12(8-9(2)3)10(4)11-5/h8H,6-7H2,1-5H3/b11-10+
InChIKeyVGPMZZGERZOGCR-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.67
Rot. Bonds3

About N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide

N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide (PubChem CID 123174184) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide
PubChem CID123174184
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide
SMILESCCCN(C=C(C)C)/C(C)=N/C
InChIInChI=1S/C10H20N2/c1-6-7-12(8-9(2)3)10(4)11-5/h8H,6-7H2,1-5H3/b11-10+
InChIKeyVGPMZZGERZOGCR-ZHACJKMWSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.67
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'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide?
The IUPAC name of N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide (CID 123174184) is N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide.
What is the SMILES notation for N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide?
The canonical SMILES for N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide is CCCN(C=C(C)C)/C(C)=N/C.
What is the InChIKey of N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide?
The InChIKey is VGPMZZGERZOGCR-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-12(8-9(2)3)10(4)11-5/h8H,6-7H2,1-5H3/b11-10+.
What are the key properties of N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide?
N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylprop-1-enyl)-N-propylethanimidamide is sourced from PubChem (CID 123174184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).