2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile

C18H27N3 — CID 106802760

IUPAC2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCN1c2ccccc2CCC1C)NC
InChIInChI=1S/C18H27N3/c1-4-18(14-19,20-3)12-7-13-21-15(2)10-11-16-8-5-6-9-17(16)21/h5-6,8-9,15,20H,4,7,10-13H2,1-3H3
InChIKeyLPOFEGVZGCSRCD-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.50
Rot. Bonds6

About 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile

2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile (PubChem CID 106802760) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
PubChem CID106802760
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCN1c2ccccc2CCC1C)NC
InChIInChI=1S/C18H27N3/c1-4-18(14-19,20-3)12-7-13-21-15(2)10-11-16-8-5-6-9-17(16)21/h5-6,8-9,15,20H,4,7,10-13H2,1-3H3
InChIKeyLPOFEGVZGCSRCD-UHFFFAOYSA-N
XLogP3.50
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
1,2,3,4-Tetrahydroquinoline
CID 69460
N-(2-Cyanophenyl)piperazine
CID 2735875
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
2-Mepp
CID 91965
2-(Benzylamino)benzonitrile
CID 324787
4-Anilino-1-benzylpiperidine-4-carbonitrile
CID 70412
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-(2-Ethylphenyl)piperazine
CID 2736460
1-(3-Cyanophenyl)piperazine
CID 11480902

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile (CID 106802760) is 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile is CCC(C#N)(CCCN1c2ccccc2CCC1C)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The InChIKey is LPOFEGVZGCSRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-18(14-19,20-3)12-7-13-21-15(2)10-11-16-8-5-6-9-17(16)21/h5-6,8-9,15,20H,4,7,10-13H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile has a molecular weight of 285.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile is sourced from PubChem (CID 106802760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).