2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile

C14H11N3 — CID 134855925

IUPAC2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile
SMILESCC(C#N)(C#N)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H11N3/c1-14(9-15,10-16)8-12-7-6-11-4-2-3-5-13(11)17-12/h2-7H,8H2,1H3
InChIKeyHDNVBHCPJQABJY-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.83
Rot. Bonds2

About 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile

2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile (PubChem CID 134855925) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile.

Molecular Properties

Compound Name2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile
PubChem CID134855925
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile
SMILESCC(C#N)(C#N)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H11N3/c1-14(9-15,10-16)8-12-7-6-11-4-2-3-5-13(11)17-12/h2-7H,8H2,1H3
InChIKeyHDNVBHCPJQABJY-UHFFFAOYSA-N
XLogP2.83
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 89210421
CID 89210421
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
2-methyl-N-(2-quinolin-2-ylethyl)propan-2-amine
CID 62549000
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(iodomethyl)quinoline
CID 19432604
CID 67646015
CID 67646015
2-methyl-1-(2-methylpropylamino)-3-quinolin-2-ylpropan-2-ol
CID 66037759
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
3-ethoxy-2-methyl-3-oxo-2-(quinolin-2-ylmethyl)propanoic acid
CID 103973764
2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile
CID 60673249
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile?
The IUPAC name of 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile (CID 134855925) is 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile.
What is the SMILES notation for 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile?
The canonical SMILES for 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile is CC(C#N)(C#N)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile?
The InChIKey is HDNVBHCPJQABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-14(9-15,10-16)8-12-7-6-11-4-2-3-5-13(11)17-12/h2-7H,8H2,1H3.
What are the key properties of 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile?
2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile has a molecular weight of 221.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile is sourced from PubChem (CID 134855925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).