methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide

C15H16N2 — CID 117043584

IUPACmethyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide
SMILESCc1ccc2cc(CCN(C)C#N)ccc2c1
InChIInChI=1S/C15H16N2/c1-12-3-5-15-10-13(4-6-14(15)9-12)7-8-17(2)11-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFMZBHKCYUNZBKY-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.10
Rot. Bonds3

About methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide

methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide (PubChem CID 117043584) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide.

Molecular Properties

Compound Namemethyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide
PubChem CID117043584
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Namemethyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide
SMILESCc1ccc2cc(CCN(C)C#N)ccc2c1
InChIInChI=1S/C15H16N2/c1-12-3-5-15-10-13(4-6-14(15)9-12)7-8-17(2)11-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFMZBHKCYUNZBKY-UHFFFAOYSA-N
XLogP3.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.10
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

methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide
CID 117043418
[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol
CID 115228492
2-hydroxy-N-methyl-N-[2-(6-methylnaphthalen-2-yl)ethyl]acetamide
CID 115140233
N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine
CID 170865408
methyl-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyanamide
CID 117043544
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylcyanamide
CID 117043556
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
CID 115172582
2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile
CID 115131051
2-methyl-7-propylnaphthalene
CID 59912073
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343
2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
CID 115129759
N',N'-dimethyl-3-(6-methylnaphthalen-2-yl)propanehydrazide
CID 116847656

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide?
The IUPAC name of methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide (CID 117043584) is methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide.
What is the SMILES notation for methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide?
The canonical SMILES for methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide is Cc1ccc2cc(CCN(C)C#N)ccc2c1.
What is the InChIKey of methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide?
The InChIKey is FMZBHKCYUNZBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-12-3-5-15-10-13(4-6-14(15)9-12)7-8-17(2)11-16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide?
methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide has a molecular weight of 224.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide is sourced from PubChem (CID 117043584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).