2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile

C15H19N3 — CID 115131519

IUPAC2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNCC#N
InChIInChI=1S/C15H19N3/c1-11-14(15(2,3)10-17-9-8-16)12-6-4-5-7-13(12)18-11/h4-7,17-18H,9-10H2,1-3H3
InChIKeyQQHHWTLTZFRECO-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.87
Rot. Bonds4

About 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile

2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile (PubChem CID 115131519) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
PubChem CID115131519
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNCC#N
InChIInChI=1S/C15H19N3/c1-11-14(15(2,3)10-17-9-8-16)12-6-4-5-7-13(12)18-11/h4-7,17-18H,9-10H2,1-3H3
InChIKeyQQHHWTLTZFRECO-UHFFFAOYSA-N
XLogP2.87
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
CID 115129802
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
CID 113085726
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 116840602
3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085675
5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide
CID 113085743
4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085673
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-3-phenylpropanamide
CID 113085688
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085686
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile?
The IUPAC name of 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile (CID 115131519) is 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile.
What is the SMILES notation for 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile?
The canonical SMILES for 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile is Cc1[nH]c2ccccc2c1C(C)(C)CNCC#N.
What is the InChIKey of 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile?
The InChIKey is QQHHWTLTZFRECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-14(15(2,3)10-17-9-8-16)12-6-4-5-7-13(12)18-11/h4-7,17-18H,9-10H2,1-3H3.
What are the key properties of 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile?
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile is sourced from PubChem (CID 115131519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).