ethane;(4-methylphenyl)cyanamide

C10H14N2 — CID 143199528

IUPACethane;(4-methylphenyl)cyanamide
SMILESCC.Cc1ccc(NC#N)cc1
InChIInChI=1S/C8H8N2.C2H6/c1-7-2-4-8(5-3-7)10-6-9;1-2/h2-5,10H,1H3;1-2H3
InChIKeyRJIDKIVBBZAGNU-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.91
Rot. Bonds1

About ethane;(4-methylphenyl)cyanamide

ethane;(4-methylphenyl)cyanamide (PubChem CID 143199528) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is ethane;(4-methylphenyl)cyanamide.

Molecular Properties

Compound Nameethane;(4-methylphenyl)cyanamide
PubChem CID143199528
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Nameethane;(4-methylphenyl)cyanamide
SMILESCC.Cc1ccc(NC#N)cc1
InChIInChI=1S/C8H8N2.C2H6/c1-7-2-4-8(5-3-7)10-6-9;1-2/h2-5,10H,1H3;1-2H3
InChIKeyRJIDKIVBBZAGNU-UHFFFAOYSA-N
XLogP2.91
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.91
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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Related Compounds

[4-[4-(cyanoamino)phenyl]phenyl]cyanamide
CID 12974293
(4-propan-2-ylphenyl)cyanamide
CID 18783174
[5-(4-methylphenyl)pyrimidin-2-yl]cyanamide
CID 116975457
N,4-dimethylaniline;ethane
CID 90758225
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
3-(4-methylanilino)prop-2-enenitrile
CID 70580008
ethane;N-(4-methylphenyl)formamide
CID 142066401
[4-(cyanoamino)phenyl] acetate
CID 102425642
sodium 1-cyano-3-(4-methylphenyl)thiourea
CID 18351918
(5-methyl-3-pyridinyl)cyanamide
CID 13041556
[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]cyanamide
CID 86047636
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)cyanamide?
The IUPAC name of ethane;(4-methylphenyl)cyanamide (CID 143199528) is ethane;(4-methylphenyl)cyanamide.
What is the SMILES notation for ethane;(4-methylphenyl)cyanamide?
The canonical SMILES for ethane;(4-methylphenyl)cyanamide is CC.Cc1ccc(NC#N)cc1.
What is the InChIKey of ethane;(4-methylphenyl)cyanamide?
The InChIKey is RJIDKIVBBZAGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-7-2-4-8(5-3-7)10-6-9;1-2/h2-5,10H,1H3;1-2H3.
What are the key properties of ethane;(4-methylphenyl)cyanamide?
ethane;(4-methylphenyl)cyanamide has a molecular weight of 162.24 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)cyanamide is sourced from PubChem (CID 143199528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).