6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

C13H16N2 — CID 83819294

IUPAC6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
SMILESCN(C)c1ccc2c(c1)CCCC2C#N
InChIInChI=1S/C13H16N2/c1-15(2)12-6-7-13-10(8-12)4-3-5-11(13)9-14/h6-8,11H,3-5H2,1-2H3
InChIKeyYMYFEDZCWMZGPW-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.70
Rot. Bonds1

About 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (PubChem CID 83819294) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
PubChem CID83819294
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
SMILESCN(C)c1ccc2c(c1)CCCC2C#N
InChIInChI=1S/C13H16N2/c1-15(2)12-6-7-13-10(8-12)4-3-5-11(13)9-14/h6-8,11H,3-5H2,1-2H3
InChIKeyYMYFEDZCWMZGPW-UHFFFAOYSA-N
XLogP2.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 105455582
6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CID 83821545
5-(dimethylamino)-2,3-dihydro-1H-inden-1-ol
CID 83816705
2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 83824130
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
N,5-dimethyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 155323115
1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987164
5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CID 134106267
6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83822185
2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile
CID 115129107
1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine
CID 88876008
3-N,3-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 115375952

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (CID 83819294) is 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is CN(C)c1ccc2c(c1)CCCC2C#N.
What is the InChIKey of 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is YMYFEDZCWMZGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15(2)12-6-7-13-10(8-12)4-3-5-11(13)9-14/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 200.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 83819294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).