2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile

C12H14N2 — CID 90713435

IUPAC2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCc1cccc2c1CCC(N)(C#N)C2
InChIInChI=1S/C12H14N2/c1-9-3-2-4-10-7-12(14,8-13)6-5-11(9)10/h2-4H,5-7,14H2,1H3
InChIKeyGSMFBVDKNZDGTP-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.70
Rot. Bonds

About 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 90713435) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID90713435
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCc1cccc2c1CCC(N)(C#N)C2
InChIInChI=1S/C12H14N2/c1-9-3-2-4-10-7-12(14,8-13)6-5-11(9)10/h2-4H,5-7,14H2,1H3
InChIKeyGSMFBVDKNZDGTP-UHFFFAOYSA-N
XLogP1.70
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 90713435) is 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile is Cc1cccc2c1CCC(N)(C#N)C2.
What is the InChIKey of 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is GSMFBVDKNZDGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-3-2-4-10-7-12(14,8-13)6-5-11(9)10/h2-4H,5-7,14H2,1H3.
What are the key properties of 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 90713435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).