2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile

C16H21N3 — CID 55034834

IUPAC2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile
SMILESCN1CCCc2cc(C(C#N)NCC3CC3)ccc21
InChIInChI=1S/C16H21N3/c1-19-8-2-3-14-9-13(6-7-16(14)19)15(10-17)18-11-12-4-5-12/h6-7,9,12,15,18H,2-5,8,11H2,1H3
InChIKeyGKTNARGBJHPOIZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.63
Rot. Bonds4

About 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile

2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile (PubChem CID 55034834) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile
PubChem CID55034834
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile
SMILESCN1CCCc2cc(C(C#N)NCC3CC3)ccc21
InChIInChI=1S/C16H21N3/c1-19-8-2-3-14-9-13(6-7-16(14)19)15(10-17)18-11-12-4-5-12/h6-7,9,12,15,18H,2-5,8,11H2,1H3
InChIKeyGKTNARGBJHPOIZ-UHFFFAOYSA-N
XLogP2.63
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(1-methyl-2,3-dihydroindol-5-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62095168
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
2-(cyclopropylmethylamino)-2-(3-methoxyphenyl)acetonitrile
CID 60997226
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63893497
1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethanamine
CID 51675118
2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
CID 62097595
2-(cyclopropylmethylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119718812
3-hydroxy-2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132572
2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
CID 62094989
ethyl 2-amino-3-hydroxy-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propanoate
CID 115481721

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile (CID 55034834) is 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile is CN1CCCc2cc(C(C#N)NCC3CC3)ccc21.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile?
The InChIKey is GKTNARGBJHPOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-8-2-3-14-9-13(6-7-16(14)19)15(10-17)18-11-12-4-5-12/h6-7,9,12,15,18H,2-5,8,11H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile?
2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile has a molecular weight of 255.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile is sourced from PubChem (CID 55034834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).