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

C9H18N2 — CID 123853033

IUPACN-(2-methylprop-1-enyl)-N'-propylethanimidamide
SMILESCCC/N=C(\C)NC=C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-10-9(4)11-7-8(2)3/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyWZZUAJSKCSDPRW-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.33
Rot. Bonds3

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

N-(2-methylprop-1-enyl)-N'-propylethanimidamide (PubChem CID 123853033) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)-N'-propylethanimidamide.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)-N'-propylethanimidamide
PubChem CID123853033
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(2-methylprop-1-enyl)-N'-propylethanimidamide
SMILESCCC/N=C(\C)NC=C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-10-9(4)11-7-8(2)3/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyWZZUAJSKCSDPRW-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-(2-methylprop-1-enyl)-N'-propylethanimidamide?
The IUPAC name of N-(2-methylprop-1-enyl)-N'-propylethanimidamide (CID 123853033) is N-(2-methylprop-1-enyl)-N'-propylethanimidamide.
What is the SMILES notation for N-(2-methylprop-1-enyl)-N'-propylethanimidamide?
The canonical SMILES for N-(2-methylprop-1-enyl)-N'-propylethanimidamide is CCC/N=C(\C)NC=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)-N'-propylethanimidamide?
The InChIKey is WZZUAJSKCSDPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-10-9(4)11-7-8(2)3/h7H,5-6H2,1-4H3,(H,10,11).
What are the key properties of N-(2-methylprop-1-enyl)-N'-propylethanimidamide?
N-(2-methylprop-1-enyl)-N'-propylethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)-N'-propylethanimidamide is sourced from PubChem (CID 123853033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).