1-butyl-3,4-dihydro-2H-quinolin-2-amine

C13H20N2 — CID 146573468

IUPAC1-butyl-3,4-dihydro-2H-quinolin-2-amine
SMILESCCCCN1c2ccccc2CCC1N
InChIInChI=1S/C13H20N2/c1-2-3-10-15-12-7-5-4-6-11(12)8-9-13(15)14/h4-7,13H,2-3,8-10,14H2,1H3
InChIKeyXIONMALYNQGVOY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.52
Rot. Bonds3

About 1-butyl-3,4-dihydro-2H-quinolin-2-amine

1-butyl-3,4-dihydro-2H-quinolin-2-amine (PubChem CID 146573468) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-butyl-3,4-dihydro-2H-quinolin-2-amine.

Molecular Properties

Compound Name1-butyl-3,4-dihydro-2H-quinolin-2-amine
PubChem CID146573468
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-butyl-3,4-dihydro-2H-quinolin-2-amine
SMILESCCCCN1c2ccccc2CCC1N
InChIInChI=1S/C13H20N2/c1-2-3-10-15-12-7-5-4-6-11(12)8-9-13(15)14/h4-7,13H,2-3,8-10,14H2,1H3
InChIKeyXIONMALYNQGVOY-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 63527317
methyl 1-heptyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 142683779
1-butyl-2,3-dihydroindole
CID 4167209
2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 106802759
2-cyclopropyl-1-hexyl-2,3-dihydroindole
CID 11096828
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218851
1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
CID 61396775
[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218760
2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 106802760
2,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexanimidamide
CID 106711911
2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
CID 62211993

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-dihydro-2H-quinolin-2-amine?
The IUPAC name of 1-butyl-3,4-dihydro-2H-quinolin-2-amine (CID 146573468) is 1-butyl-3,4-dihydro-2H-quinolin-2-amine.
What is the SMILES notation for 1-butyl-3,4-dihydro-2H-quinolin-2-amine?
The canonical SMILES for 1-butyl-3,4-dihydro-2H-quinolin-2-amine is CCCCN1c2ccccc2CCC1N.
What is the InChIKey of 1-butyl-3,4-dihydro-2H-quinolin-2-amine?
The InChIKey is XIONMALYNQGVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-3-10-15-12-7-5-4-6-11(12)8-9-13(15)14/h4-7,13H,2-3,8-10,14H2,1H3.
What are the key properties of 1-butyl-3,4-dihydro-2H-quinolin-2-amine?
1-butyl-3,4-dihydro-2H-quinolin-2-amine has a molecular weight of 204.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-dihydro-2H-quinolin-2-amine is sourced from PubChem (CID 146573468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).