2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile

C14H18N2 — CID 138530408

IUPAC2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile
SMILESCC(C)c1ccc2c(c1)C(C#N)CN(C)C2
InChIInChI=1S/C14H18N2/c1-10(2)11-4-5-12-8-16(3)9-13(7-15)14(12)6-11/h4-6,10,13H,8-9H2,1-3H3
InChIKeyYYYGQIIQARQARM-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.86
Rot. Bonds1

About 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile

2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile (PubChem CID 138530408) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile
PubChem CID138530408
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile
SMILESCC(C)c1ccc2c(c1)C(C#N)CN(C)C2
InChIInChI=1S/C14H18N2/c1-10(2)11-4-5-12-8-16(3)9-13(7-15)14(12)6-11/h4-6,10,13H,8-9H2,1-3H3
InChIKeyYYYGQIIQARQARM-UHFFFAOYSA-N
XLogP2.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile?
The IUPAC name of 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile (CID 138530408) is 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile?
The canonical SMILES for 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile is CC(C)c1ccc2c(c1)C(C#N)CN(C)C2.
What is the InChIKey of 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile?
The InChIKey is YYYGQIIQARQARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)11-4-5-12-8-16(3)9-13(7-15)14(12)6-11/h4-6,10,13H,8-9H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile?
2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile is sourced from PubChem (CID 138530408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).