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

C17H25N3 — CID 106802759

IUPAC2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
SMILESCCC(N)(C#N)CCCN1c2ccccc2CCC1C
InChIInChI=1S/C17H25N3/c1-3-17(19,13-18)11-6-12-20-14(2)9-10-15-7-4-5-8-16(15)20/h4-5,7-8,14H,3,6,9-12,19H2,1-2H3
InChIKeyOHZHMWVLOKFLPM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.24
Rot. Bonds5

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

2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile (PubChem CID 106802759) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
PubChem CID106802759
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
SMILESCCC(N)(C#N)CCCN1c2ccccc2CCC1C
InChIInChI=1S/C17H25N3/c1-3-17(19,13-18)11-6-12-20-14(2)9-10-15-7-4-5-8-16(15)20/h4-5,7-8,14H,3,6,9-12,19H2,1-2H3
InChIKeyOHZHMWVLOKFLPM-UHFFFAOYSA-N
XLogP3.24
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 106802760
2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
CID 62211993
2,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexanimidamide
CID 106711911
2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
CID 65257939
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
CID 61396775
1-butyl-3,4-dihydro-2H-quinolin-2-amine
CID 146573468
2-amino-2-cyclopropyl-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-ol
CID 64791780
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 54945544
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropan-2-amine
CID 62489358
2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791594
2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol
CID 62271455

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile (CID 106802759) is 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile is CCC(N)(C#N)CCCN1c2ccccc2CCC1C.
What is the InChIKey of 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The InChIKey is OHZHMWVLOKFLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-17(19,13-18)11-6-12-20-14(2)9-10-15-7-4-5-8-16(15)20/h4-5,7-8,14H,3,6,9-12,19H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile has a molecular weight of 271.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile is sourced from PubChem (CID 106802759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).