2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile

C16H20N2 — CID 43291742

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCCc2ccccc21
InChIInChI=1S/C16H20N2/c17-12-14-7-2-4-10-16(14)18-11-5-8-13-6-1-3-9-15(13)18/h1,3,6,9,14,16H,2,4-5,7-8,10-11H2
InChIKeyHDWFSPQVUCLRKA-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.52
Rot. Bonds1

About 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile

2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 43291742) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
PubChem CID43291742
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCCc2ccccc21
InChIInChI=1S/C16H20N2/c17-12-14-7-2-4-10-16(14)18-11-5-8-13-6-1-3-9-15(13)18/h1,3,6,9,14,16H,2,4-5,7-8,10-11H2
InChIKeyHDWFSPQVUCLRKA-UHFFFAOYSA-N
XLogP3.52
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile (CID 43291742) is 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile is N#CC1CCCCC1N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is HDWFSPQVUCLRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-12-14-7-2-4-10-16(14)18-11-5-8-13-6-1-3-9-15(13)18/h1,3,6,9,14,16H,2,4-5,7-8,10-11H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile?
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43291742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).