2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile

C12H14N2 — CID 10375184

IUPAC2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCNC1(C#N)CCc2ccccc2C1
InChIInChI=1S/C12H14N2/c1-14-12(9-13)7-6-10-4-2-3-5-11(10)8-12/h2-5,14H,6-8H2,1H3
InChIKeyVYLKXRWZNWSMJI-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.66
Rot. Bonds1

About 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 10375184) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID10375184
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCNC1(C#N)CCc2ccccc2C1
InChIInChI=1S/C12H14N2/c1-14-12(9-13)7-6-10-4-2-3-5-11(10)8-12/h2-5,14H,6-8H2,1H3
InChIKeyVYLKXRWZNWSMJI-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 10375184) is 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile is CNC1(C#N)CCc2ccccc2C1.
What is the InChIKey of 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is VYLKXRWZNWSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14-12(9-13)7-6-10-4-2-3-5-11(10)8-12/h2-5,14H,6-8H2,1H3.
What are the key properties of 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 10375184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).