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

C14H14N2 — CID 117043418

IUPACmethyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide
SMILESCc1ccc2cc(CN(C)C#N)ccc2c1
InChIInChI=1S/C14H14N2/c1-11-3-5-14-8-12(9-16(2)10-15)4-6-13(14)7-11/h3-8H,9H2,1-2H3
InChIKeyRYOLESUVVJIFKV-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.06
Rot. Bonds2

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

methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide (PubChem CID 117043418) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide.

Molecular Properties

Compound Namemethyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide
PubChem CID117043418
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Namemethyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide
SMILESCc1ccc2cc(CN(C)C#N)ccc2c1
InChIInChI=1S/C14H14N2/c1-11-3-5-14-8-12(9-16(2)10-15)4-6-13(14)7-11/h3-8H,9H2,1-2H3
InChIKeyRYOLESUVVJIFKV-UHFFFAOYSA-N
XLogP3.06
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.06
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-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide
CID 117043584
2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile
CID 115131051
N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]-2-oxoacetamide
CID 115166473
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343
2-chloro-N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115162099
1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115199467
2-(bromomethyl)-7-methylnaphthalene
CID 13426568
2,6-dimethylnaphthalene;propane
CID 142191183
[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol
CID 115228492
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
CID 115172582
2,9-dimethylpentacene
CID 11460950
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647

Frequently Asked Questions

What is the IUPAC name of methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide?
The IUPAC name of methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide (CID 117043418) is methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide.
What is the SMILES notation for methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide?
The canonical SMILES for methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide is Cc1ccc2cc(CN(C)C#N)ccc2c1.
What is the InChIKey of methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide?
The InChIKey is RYOLESUVVJIFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-11-3-5-14-8-12(9-16(2)10-15)4-6-13(14)7-11/h3-8H,9H2,1-2H3.
What are the key properties of methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide?
methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide has a molecular weight of 210.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide is sourced from PubChem (CID 117043418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).