cumene;N'-methylethanimidamide

C12H20N2 — CID 142863724

IUPACcumene;N'-methylethanimidamide
SMILESC/N=C(\C)N.CC(C)c1ccccc1
InChIInChI=1S/C9H12.C3H8N2/c1-8(2)9-6-4-3-5-7-9;1-3(4)5-2/h3-8H,1-2H3;1-2H3,(H2,4,5)
InChIKeyUCYHOCTWVVHIDV-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.80
Rot. Bonds1

About cumene;N'-methylethanimidamide

cumene;N'-methylethanimidamide (PubChem CID 142863724) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is cumene;N'-methylethanimidamide.

Molecular Properties

Compound Namecumene;N'-methylethanimidamide
PubChem CID142863724
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Namecumene;N'-methylethanimidamide
SMILESC/N=C(\C)N.CC(C)c1ccccc1
InChIInChI=1S/C9H12.C3H8N2/c1-8(2)9-6-4-3-5-7-9;1-3(4)5-2/h3-8H,1-2H3;1-2H3,(H2,4,5)
InChIKeyUCYHOCTWVVHIDV-UHFFFAOYSA-N
XLogP2.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.80
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 cumene;N'-methylethanimidamide?
The IUPAC name of cumene;N'-methylethanimidamide (CID 142863724) is cumene;N'-methylethanimidamide.
What is the SMILES notation for cumene;N'-methylethanimidamide?
The canonical SMILES for cumene;N'-methylethanimidamide is C/N=C(\C)N.CC(C)c1ccccc1.
What is the InChIKey of cumene;N'-methylethanimidamide?
The InChIKey is UCYHOCTWVVHIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C3H8N2/c1-8(2)9-6-4-3-5-7-9;1-3(4)5-2/h3-8H,1-2H3;1-2H3,(H2,4,5).
What are the key properties of cumene;N'-methylethanimidamide?
cumene;N'-methylethanimidamide has a molecular weight of 192.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N'-methylethanimidamide is sourced from PubChem (CID 142863724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).