5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H21N3 — CID 64752500

IUPAC5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCCNc1nc2c(cc1C#N)C(C)CC(C)C2
InChIInChI=1S/C15H21N3/c1-4-5-17-15-12(9-16)8-13-11(3)6-10(2)7-14(13)18-15/h8,10-11H,4-7H2,1-3H3,(H,17,18)
InChIKeyODWISQWLJGSRPU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.46
Rot. Bonds3

About 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 64752500) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID64752500
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCCNc1nc2c(cc1C#N)C(C)CC(C)C2
InChIInChI=1S/C15H21N3/c1-4-5-17-15-12(9-16)8-13-11(3)6-10(2)7-14(13)18-15/h8,10-11H,4-7H2,1-3H3,(H,17,18)
InChIKeyODWISQWLJGSRPU-UHFFFAOYSA-N
XLogP3.46
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 64752500) is 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCCNc1nc2c(cc1C#N)C(C)CC(C)C2.
What is the InChIKey of 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is ODWISQWLJGSRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-5-17-15-12(9-16)8-13-11(3)6-10(2)7-14(13)18-15/h8,10-11H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 64752500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).