2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C18H27N3 — CID 63511622

IUPAC2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(C)CN(CC(C)C)c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C18H27N3/c1-13(2)11-21(12-14(3)4)18-16(10-19)9-15-7-5-6-8-17(15)20-18/h9,13-14H,5-8,11-12H2,1-4H3
InChIKeyWMXCGHDBTLTGCA-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.95
Rot. Bonds5

About 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 63511622) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID63511622
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(C)CN(CC(C)C)c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C18H27N3/c1-13(2)11-21(12-14(3)4)18-16(10-19)9-15-7-5-6-8-17(15)20-18/h9,13-14H,5-8,11-12H2,1-4H3
InChIKeyWMXCGHDBTLTGCA-UHFFFAOYSA-N
XLogP3.95
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)-(2-methylpropyl)amino]acetic acid
CID 63065717
2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63224853
2-[cyclopentyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940936
2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944687
2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 107398660
2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63656342
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115669194
2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79113654
2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103339000
2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980616
2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78964766
2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 63511622) is 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC(C)CN(CC(C)C)c1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is WMXCGHDBTLTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)11-21(12-14(3)4)18-16(10-19)9-15-7-5-6-8-17(15)20-18/h9,13-14H,5-8,11-12H2,1-4H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 285.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 63511622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).