2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile

C14H15N3 — CID 63968719

IUPAC2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
SMILESCC(C)NC(C#N)c1ccc2ncccc2c1
InChIInChI=1S/C14H15N3/c1-10(2)17-14(9-15)12-5-6-13-11(8-12)4-3-7-16-13/h3-8,10,14,17H,1-2H3
InChIKeyHYEXNSHSESOYNI-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.80
Rot. Bonds3

About 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile

2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile (PubChem CID 63968719) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile.

Molecular Properties

Compound Name2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
PubChem CID63968719
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
SMILESCC(C)NC(C#N)c1ccc2ncccc2c1
InChIInChI=1S/C14H15N3/c1-10(2)17-14(9-15)12-5-6-13-11(8-12)4-3-7-16-13/h3-8,10,14,17H,1-2H3
InChIKeyHYEXNSHSESOYNI-UHFFFAOYSA-N
XLogP2.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
CID 63969132
2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile
CID 63969155
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
6-(1-nitrosoethyl)quinoline
CID 54028651
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116720092
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
2-quinolin-6-ylpropan-1-amine
CID 79002101
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile?
The IUPAC name of 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile (CID 63968719) is 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile.
What is the SMILES notation for 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile?
The canonical SMILES for 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile is CC(C)NC(C#N)c1ccc2ncccc2c1.
What is the InChIKey of 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile?
The InChIKey is HYEXNSHSESOYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10(2)17-14(9-15)12-5-6-13-11(8-12)4-3-7-16-13/h3-8,10,14,17H,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile?
2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile has a molecular weight of 225.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile is sourced from PubChem (CID 63968719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).