5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C12H14N2 — CID 131174975

IUPAC5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCNC1CCCc2cc(C#N)ccc21
InChIInChI=1S/C12H14N2/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h5-7,12,14H,2-4H2,1H3
InChIKeyFJSQQHQSFDVEEK-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.16
Rot. Bonds1

About 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 131174975) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID131174975
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCNC1CCCc2cc(C#N)ccc21
InChIInChI=1S/C12H14N2/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h5-7,12,14H,2-4H2,1H3
InChIKeyFJSQQHQSFDVEEK-UHFFFAOYSA-N
XLogP2.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172789677
4-[[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]methyl]benzonitrile
CID 83211319
5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 146424595
(5S)-5-[(3-iodo-2H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850650
5-(4-amino-3-ethanimidoylanilino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850754
5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 118900077
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770250
3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile
CID 22608163
N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172842465
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
CID 120876321
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 131174975) is 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CNC1CCCc2cc(C#N)ccc21.
What is the InChIKey of 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is FJSQQHQSFDVEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h5-7,12,14H,2-4H2,1H3.
What are the key properties of 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 131174975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).