2-propan-2-yl-1H-perimidine

C14H14N2 — CID 610934

IUPAC2-propan-2-yl-1H-perimidine
SMILESCC(C)C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C14H14N2/c1-9(2)14-15-11-7-3-5-10-6-4-8-12(16-14)13(10)11/h3-9H,1-2H3,(H,15,16)
InChIKeyRYNTXOSYMIOQJA-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.95
Rot. Bonds1

About 2-propan-2-yl-1H-perimidine

2-propan-2-yl-1H-perimidine (PubChem CID 610934) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-propan-2-yl-1H-perimidine.

Molecular Properties

Compound Name2-propan-2-yl-1H-perimidine
PubChem CID610934
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-propan-2-yl-1H-perimidine
SMILESCC(C)C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C14H14N2/c1-9(2)14-15-11-7-3-5-10-6-4-8-12(16-14)13(10)11/h3-9H,1-2H3,(H,15,16)
InChIKeyRYNTXOSYMIOQJA-UHFFFAOYSA-N
XLogP3.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-perimidine?
The IUPAC name of 2-propan-2-yl-1H-perimidine (CID 610934) is 2-propan-2-yl-1H-perimidine.
What is the SMILES notation for 2-propan-2-yl-1H-perimidine?
The canonical SMILES for 2-propan-2-yl-1H-perimidine is CC(C)C1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-propan-2-yl-1H-perimidine?
The InChIKey is RYNTXOSYMIOQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-9(2)14-15-11-7-3-5-10-6-4-8-12(16-14)13(10)11/h3-9H,1-2H3,(H,15,16).
What are the key properties of 2-propan-2-yl-1H-perimidine?
2-propan-2-yl-1H-perimidine has a molecular weight of 210.28 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-perimidine is sourced from PubChem (CID 610934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).