2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile

C15H17N3 — CID 63967901

IUPAC2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile
SMILESCC(C)CNC(C#N)c1cccc2cccnc12
InChIInChI=1S/C15H17N3/c1-11(2)10-18-14(9-16)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,11,14,18H,10H2,1-2H3
InChIKeyYLEQDLWXXKJRHG-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile

2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile (PubChem CID 63967901) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile.

Molecular Properties

Compound Name2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile
PubChem CID63967901
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile
SMILESCC(C)CNC(C#N)c1cccc2cccnc12
InChIInChI=1S/C15H17N3/c1-11(2)10-18-14(9-16)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,11,14,18H,10H2,1-2H3
InChIKeyYLEQDLWXXKJRHG-UHFFFAOYSA-N
XLogP3.05
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile
CID 63969362
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
CID 63669621
2-chloro-2-quinolin-8-ylacetonitrile
CID 63968739
N,2-dimethyl-3-quinolin-8-ylbutan-1-amine
CID 81222761
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
3-methyl-N-(2-methylpropyl)-3-quinolin-8-ylbutan-1-amine
CID 81223542
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
N-propan-2-yl-3-quinolin-8-ylbutan-2-amine
CID 81224234
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
N-methyl-1-quinolin-8-ylbut-3-yn-1-amine
CID 105077186
[2-(2-methylpropylsulfanyl)-1-quinolin-8-ylethyl]hydrazine
CID 105226697
1-quinolin-8-ylhex-4-ynylhydrazine
CID 105334997

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile?
The IUPAC name of 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile (CID 63967901) is 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile.
What is the SMILES notation for 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile?
The canonical SMILES for 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile is CC(C)CNC(C#N)c1cccc2cccnc12.
What is the InChIKey of 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile?
The InChIKey is YLEQDLWXXKJRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11(2)10-18-14(9-16)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,11,14,18H,10H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile?
2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile is sourced from PubChem (CID 63967901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).