2-(methylamino)naphthalene-1-carbonitrile

C12H10N2 — CID 12758537

IUPAC2-(methylamino)naphthalene-1-carbonitrile
SMILESCNc1ccc2ccccc2c1C#N
InChIInChI=1S/C12H10N2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7,14H,1H3
InChIKeyYJJHNSWUHBLJDE-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.75
Rot. Bonds1

About 2-(methylamino)naphthalene-1-carbonitrile

2-(methylamino)naphthalene-1-carbonitrile (PubChem CID 12758537) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(methylamino)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)naphthalene-1-carbonitrile
PubChem CID12758537
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-(methylamino)naphthalene-1-carbonitrile
SMILESCNc1ccc2ccccc2c1C#N
InChIInChI=1S/C12H10N2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7,14H,1H3
InChIKeyYJJHNSWUHBLJDE-UHFFFAOYSA-N
XLogP2.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(deuteriomethyl)naphthalene-1-carbonitrile
CID 12563419
1-(methylamino)naphthalene-2-carbonitrile
CID 134243586
1-benzyl-N-methylnaphthalen-2-amine
CID 174703862
phenanthrene-1,2-dicarbonitrile
CID 19041876
2-(3-methylphenyl)naphthalene-1-carbonitrile
CID 71514383
anthracene-2,9-dicarbonitrile
CID 22395387
pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile
CID 146436976
2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20994075
2-hexoxynaphthalene-1-carbonitrile
CID 22685453
2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile
CID 15422657
1-decyl-N-methylnaphthalen-2-amine
CID 174691117
2-aminoanthracene-9-carbonitrile
CID 23131319

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)naphthalene-1-carbonitrile?
The IUPAC name of 2-(methylamino)naphthalene-1-carbonitrile (CID 12758537) is 2-(methylamino)naphthalene-1-carbonitrile.
What is the SMILES notation for 2-(methylamino)naphthalene-1-carbonitrile?
The canonical SMILES for 2-(methylamino)naphthalene-1-carbonitrile is CNc1ccc2ccccc2c1C#N.
What is the InChIKey of 2-(methylamino)naphthalene-1-carbonitrile?
The InChIKey is YJJHNSWUHBLJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7,14H,1H3.
What are the key properties of 2-(methylamino)naphthalene-1-carbonitrile?
2-(methylamino)naphthalene-1-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)naphthalene-1-carbonitrile is sourced from PubChem (CID 12758537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).