2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile

C14H14N2 — CID 115131051

IUPAC2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile
SMILESCc1ccc2cc(CNCC#N)ccc2c1
InChIInChI=1S/C14H14N2/c1-11-2-4-14-9-12(10-16-7-6-15)3-5-13(14)8-11/h2-5,8-9,16H,7,10H2,1H3
InChIKeyDKAWCNWXDYNDRH-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.76
Rot. Bonds3

About 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile

2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile (PubChem CID 115131051) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile
PubChem CID115131051
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile
SMILESCc1ccc2cc(CNCC#N)ccc2c1
InChIInChI=1S/C14H14N2/c1-11-2-4-14-9-12(10-16-7-6-15)3-5-13(14)8-11/h2-5,8-9,16H,7,10H2,1H3
InChIKeyDKAWCNWXDYNDRH-UHFFFAOYSA-N
XLogP2.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methylnaphthalen-2-yl)methylamino]acetamide
CID 115259951
3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine
CID 115119779
3-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115200672
methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide
CID 117043418
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile
CID 86668419
N-[(6-methylnaphthalen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 115209974
2-[(3-chloro-4-hydroxyphenyl)methylamino]acetonitrile
CID 130620315
methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide
CID 117043584
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
CID 115172582
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
2,6-dimethylnaphthalene;propane
CID 142191183
2-hydroxy-2-methyl-N-[(6-methylnaphthalen-2-yl)methyl]propanamide
CID 115178810

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile?
The IUPAC name of 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile (CID 115131051) is 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile.
What is the SMILES notation for 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile?
The canonical SMILES for 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile is Cc1ccc2cc(CNCC#N)ccc2c1.
What is the InChIKey of 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile?
The InChIKey is DKAWCNWXDYNDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-11-2-4-14-9-12(10-16-7-6-15)3-5-13(14)8-11/h2-5,8-9,16H,7,10H2,1H3.
What are the key properties of 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile?
2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile has a molecular weight of 210.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile is sourced from PubChem (CID 115131051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).