1-(methylamino)naphthalene-2-carbonitrile

C12H10N2 — CID 134243586

IUPAC1-(methylamino)naphthalene-2-carbonitrile
SMILESCNc1c(C#N)ccc2ccccc12
InChIInChI=1S/C12H10N2/c1-14-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h2-7,14H,1H3
InChIKeyHLKFAZLWHIRLFV-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.75
Rot. Bonds1

About 1-(methylamino)naphthalene-2-carbonitrile

1-(methylamino)naphthalene-2-carbonitrile (PubChem CID 134243586) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(methylamino)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)naphthalene-2-carbonitrile
PubChem CID134243586
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-(methylamino)naphthalene-2-carbonitrile
SMILESCNc1c(C#N)ccc2ccccc12
InChIInChI=1S/C12H10N2/c1-14-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h2-7,14H,1H3
InChIKeyHLKFAZLWHIRLFV-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-Methyl-1-naphthylamine
CID 16733
N-Ethyl-1-naphthalenamine
CID 67043
N-Methyl-1-naphthylamine
CID 16667
4,5-Bis(dimethylamino)naphthalene-1-carbonitrile
CID 2327119
2,6-Dimethyl-naphthalen-1-ylamine
CID 646819
2-(1-[6-(Dimethylamino)-2-naphthyl]ethylidene)malononitrile
CID 9903341
4-Pyrrolidin-1-ylnaphthalene-1-carbonitrile
CID 11715539
(E)-2-(3-(6-(Dimethylamino)naphthalen-2-yl)allylidene)malononitrile
CID 122212250
2-[[4,5-Bis(dimethylamino)naphthalen-1-yl]methylidene]propanedinitrile
CID 2316406
2-[(2E,4E)-5-[6-(dimethylamino)naphthalen-2-yl]penta-2,4-dienylidene]propanedinitrile
CID 122212251
N,N'-Dimethyl-1,8-naphthalenediamine
CID 140748
N-propylnaphthalen-1-amine
CID 346980

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)naphthalene-2-carbonitrile?
The IUPAC name of 1-(methylamino)naphthalene-2-carbonitrile (CID 134243586) is 1-(methylamino)naphthalene-2-carbonitrile.
What is the SMILES notation for 1-(methylamino)naphthalene-2-carbonitrile?
The canonical SMILES for 1-(methylamino)naphthalene-2-carbonitrile is CNc1c(C#N)ccc2ccccc12.
What is the InChIKey of 1-(methylamino)naphthalene-2-carbonitrile?
The InChIKey is HLKFAZLWHIRLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-14-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h2-7,14H,1H3.
What are the key properties of 1-(methylamino)naphthalene-2-carbonitrile?
1-(methylamino)naphthalene-2-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 1-(methylamino)naphthalene-2-carbonitrile is sourced from PubChem (CID 134243586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).