2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile

C14H18N2 — CID 115129107

IUPAC2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile
SMILESCN(c1ccc2c(c1)CCC2)C(C)(C)C#N
InChIInChI=1S/C14H18N2/c1-14(2,10-15)16(3)13-8-7-11-5-4-6-12(11)9-13/h7-9H,4-6H2,1-3H3
InChIKeyMSJSNFJQUPLAEF-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.91
Rot. Bonds2

About 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile

2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile (PubChem CID 115129107) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile
PubChem CID115129107
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile
SMILESCN(c1ccc2c(c1)CCC2)C(C)(C)C#N
InChIInChI=1S/C14H18N2/c1-14(2,10-15)16(3)13-8-7-11-5-4-6-12(11)9-13/h7-9H,4-6H2,1-3H3
InChIKeyMSJSNFJQUPLAEF-UHFFFAOYSA-N
XLogP2.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile (CID 115129107) is 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile is CN(c1ccc2c(c1)CCC2)C(C)(C)C#N.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile?
The InChIKey is MSJSNFJQUPLAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2,10-15)16(3)13-8-7-11-5-4-6-12(11)9-13/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile?
2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 115129107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).