2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile

C15H20N2 — CID 115131481

IUPAC2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
SMILESCC(C)(CNCC#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N2/c1-15(2,11-17-9-8-16)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,17H,3-5,9,11H2,1-2H3
InChIKeyWIWBFUUUTIZGPP-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.57
Rot. Bonds4

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

2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile (PubChem CID 115131481) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
PubChem CID115131481
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
SMILESCC(C)(CNCC#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N2/c1-15(2,11-17-9-8-16)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,17H,3-5,9,11H2,1-2H3
InChIKeyWIWBFUUUTIZGPP-UHFFFAOYSA-N
XLogP2.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231328
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
CID 115172769
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propane-1-thiol
CID 115225322
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]acetamide
CID 115162255
2-[[2-(3-chloro-4-methoxyphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131477
3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830391

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile (CID 115131481) is 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile is CC(C)(CNCC#N)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile?
The InChIKey is WIWBFUUUTIZGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2,11-17-9-8-16)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,17H,3-5,9,11H2,1-2H3.
What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile?
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile has a molecular weight of 228.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile is sourced from PubChem (CID 115131481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).