N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine

C15H21N5 — CID 107040732

IUPACN-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCCNC1CCN(Cc2cn(C)nn2)c2ccccc21
InChIInChI=1S/C15H21N5/c1-3-16-14-8-9-20(11-12-10-19(2)18-17-12)15-7-5-4-6-13(14)15/h4-7,10,14,16H,3,8-9,11H2,1-2H3
InChIKeyYBVGSTSHWMWCDK-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.88
Rot. Bonds4

About N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine

N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 107040732) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
PubChem CID107040732
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCCNC1CCN(Cc2cn(C)nn2)c2ccccc21
InChIInChI=1S/C15H21N5/c1-3-16-14-8-9-20(11-12-10-19(2)18-17-12)15-7-5-4-6-13(14)15/h4-7,10,14,16H,3,8-9,11H2,1-2H3
InChIKeyYBVGSTSHWMWCDK-UHFFFAOYSA-N
XLogP1.88
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 107040750
N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
CID 106449014
N-ethyl-1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 104646717
N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine
CID 65159657
N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107041494
1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 107043037
1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336346
4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol
CID 114336423
N-ethyl-1-(4-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-4-amine
CID 64749629
N-ethyl-1-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336343
1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524576
2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide
CID 114384644

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine (CID 107040732) is N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine is CCNC1CCN(Cc2cn(C)nn2)c2ccccc21.
What is the InChIKey of N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is YBVGSTSHWMWCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-16-14-8-9-20(11-12-10-19(2)18-17-12)15-7-5-4-6-13(14)15/h4-7,10,14,16H,3,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 107040732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).