(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C12H14N2 — CID 131010416

IUPAC(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1c(C#N)ccc2c1[C@@H](N)CCC2
InChIInChI=1S/C12H14N2/c1-8-10(7-13)6-5-9-3-2-4-11(14)12(8)9/h5-6,11H,2-4,14H2,1H3/t11-/m0/s1
InChIKeyRAMOAPUGZLXQRE-NSHDSACASA-N
MW186.26 g/mol
LogP2.20
Rot. Bonds

About (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 131010416) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID131010416
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1c(C#N)ccc2c1[C@@H](N)CCC2
InChIInChI=1S/C12H14N2/c1-8-10(7-13)6-5-9-3-2-4-11(14)12(8)9/h5-6,11H,2-4,14H2,1H3/t11-/m0/s1
InChIKeyRAMOAPUGZLXQRE-NSHDSACASA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 131010416) is (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is Cc1c(C#N)ccc2c1[C@@H](N)CCC2.
What is the InChIKey of (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is RAMOAPUGZLXQRE-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2/c1-8-10(7-13)6-5-9-3-2-4-11(14)12(8)9/h5-6,11H,2-4,14H2,1H3/t11-/m0/s1.
What are the key properties of (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 131010416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).