2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H18N4 — CID 63224853

IUPAC2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(CC#N)N(C)c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H18N4/c1-11(7-8-16)19(2)15-13(10-17)9-12-5-3-4-6-14(12)18-15/h9,11H,3-7H2,1-2H3
InChIKeyXWJQTQUYCBXLRS-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.57
Rot. Bonds3

About 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 63224853) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID63224853
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(CC#N)N(C)c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H18N4/c1-11(7-8-16)19(2)15-13(10-17)9-12-5-3-4-6-14(12)18-15/h9,11H,3-7H2,1-2H3
InChIKeyXWJQTQUYCBXLRS-UHFFFAOYSA-N
XLogP2.57
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 63224853) is 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC(CC#N)N(C)c1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is XWJQTQUYCBXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(7-8-16)19(2)15-13(10-17)9-12-5-3-4-6-14(12)18-15/h9,11H,3-7H2,1-2H3.
What are the key properties of 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 63224853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).