methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide

C12H16N2 — CID 117043228

IUPACmethyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
SMILESCc1ccc(C(C)C)cc1N(C)C#N
InChIInChI=1S/C12H16N2/c1-9(2)11-6-5-10(3)12(7-11)14(4)8-13/h5-7,9H,1-4H3
InChIKeyMREIKXRXIOFGQF-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.04
Rot. Bonds2

About methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide

methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide (PubChem CID 117043228) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide.

Molecular Properties

Compound Namemethyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
PubChem CID117043228
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Namemethyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
SMILESCc1ccc(C(C)C)cc1N(C)C#N
InChIInChI=1S/C12H16N2/c1-9(2)11-6-5-10(3)12(7-11)14(4)8-13/h5-7,9H,1-4H3
InChIKeyMREIKXRXIOFGQF-UHFFFAOYSA-N
XLogP3.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
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

2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
CID 115130881
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
ethane;2-methyl-5-propan-2-ylbenzonitrile
CID 177048895
2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline
CID 117041530
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126020
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide
CID 115176806
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-amine
CID 115118743

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide?
The IUPAC name of methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide (CID 117043228) is methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide.
What is the SMILES notation for methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide?
The canonical SMILES for methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide is Cc1ccc(C(C)C)cc1N(C)C#N.
What is the InChIKey of methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide?
The InChIKey is MREIKXRXIOFGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)11-6-5-10(3)12(7-11)14(4)8-13/h5-7,9H,1-4H3.
What are the key properties of methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide?
methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide has a molecular weight of 188.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide is sourced from PubChem (CID 117043228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).