(4-propan-2-ylphenyl)cyanamide

C10H12N2 — CID 18783174

IUPAC(4-propan-2-ylphenyl)cyanamide
SMILESCC(C)c1ccc(NC#N)cc1
InChIInChI=1S/C10H12N2/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-6,8,12H,1-2H3
InChIKeyBXPLSQXTEDIXAQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.70
Rot. Bonds2

About (4-propan-2-ylphenyl)cyanamide

(4-propan-2-ylphenyl)cyanamide (PubChem CID 18783174) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)cyanamide.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)cyanamide
PubChem CID18783174
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(4-propan-2-ylphenyl)cyanamide
SMILESCC(C)c1ccc(NC#N)cc1
InChIInChI=1S/C10H12N2/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-6,8,12H,1-2H3
InChIKeyBXPLSQXTEDIXAQ-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)cyanamide?
The IUPAC name of (4-propan-2-ylphenyl)cyanamide (CID 18783174) is (4-propan-2-ylphenyl)cyanamide.
What is the SMILES notation for (4-propan-2-ylphenyl)cyanamide?
The canonical SMILES for (4-propan-2-ylphenyl)cyanamide is CC(C)c1ccc(NC#N)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)cyanamide?
The InChIKey is BXPLSQXTEDIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-6,8,12H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)cyanamide?
(4-propan-2-ylphenyl)cyanamide has a molecular weight of 160.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)cyanamide is sourced from PubChem (CID 18783174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).