2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile

C14H18N2 — CID 115129260

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2/c1-14(2,10-15)16-9-11-6-7-12-4-3-5-13(12)8-11/h6-8,16H,3-5,9H2,1-2H3
InChIKeyHFAOOQYAZAKYAI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.57
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile

2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile (PubChem CID 115129260) 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-ylmethylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
PubChem CID115129260
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2/c1-14(2,10-15)16-9-11-6-7-12-4-3-5-13(12)8-11/h6-8,16H,3-5,9H2,1-2H3
InChIKeyHFAOOQYAZAKYAI-UHFFFAOYSA-N
XLogP2.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
CID 115629541
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
CID 115129291
1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine
CID 65024559
2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
CID 28702607
2-[(3,4-dimethoxyphenyl)methylamino]-2-methylpropanenitrile
CID 28702633
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile
CID 115234193
N-(2,3-dihydro-1H-inden-5-ylmethyl)ethenamine
CID 134268692
6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143303
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile
CID 79034163

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile (CID 115129260) is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile is CC(C)(C#N)NCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile?
The InChIKey is HFAOOQYAZAKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2,10-15)16-9-11-6-7-12-4-3-5-13(12)8-11/h6-8,16H,3-5,9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile?
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile is sourced from PubChem (CID 115129260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).