2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile

C14H18N2 — CID 116997085

IUPAC2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
SMILESCN1CCc2cc(CC(C)(C)C#N)ccc21
InChIInChI=1S/C14H18N2/c1-14(2,10-15)9-11-4-5-13-12(8-11)6-7-16(13)3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyAPWURRHXDWHYCO-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.77
Rot. Bonds2

About 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile

2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile (PubChem CID 116997085) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
PubChem CID116997085
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
SMILESCN1CCc2cc(CC(C)(C)C#N)ccc21
InChIInChI=1S/C14H18N2/c1-14(2,10-15)9-11-4-5-13-12(8-11)6-7-16(13)3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyAPWURRHXDWHYCO-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
2-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-2-amine
CID 64867066
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 113320268
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 115359011
3-hydroxy-2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132572
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile?
The IUPAC name of 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile (CID 116997085) is 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile is CN1CCc2cc(CC(C)(C)C#N)ccc21.
What is the InChIKey of 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile?
The InChIKey is APWURRHXDWHYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2,10-15)9-11-4-5-13-12(8-11)6-7-16(13)3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile?
2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile is sourced from PubChem (CID 116997085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).