5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine

C13H17ClN2 — CID 105498687

IUPAC5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESClc1cccc2c1C(NC1CCC1)CCN2
InChIInChI=1S/C13H17ClN2/c14-10-5-2-6-11-13(10)12(7-8-15-11)16-9-3-1-4-9/h2,5-6,9,12,15-16H,1,3-4,7-8H2
InChIKeyHAMAKHUPMJAZFY-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.34
Rot. Bonds2

About 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine

5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 105498687) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID105498687
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESClc1cccc2c1C(NC1CCC1)CCN2
InChIInChI=1S/C13H17ClN2/c14-10-5-2-6-11-13(10)12(7-8-15-11)16-9-3-1-4-9/h2,5-6,9,12,15-16H,1,3-4,7-8H2
InChIKeyHAMAKHUPMJAZFY-UHFFFAOYSA-N
XLogP3.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105488657
N-cyclopropyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105443290
4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol
CID 105472985
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol
CID 117199882
5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline
CID 142693137
3-chloro-2-cyclobutylaniline
CID 68788107
N-cyclopropyl-8-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 105459056
N-cyclopropyl-6-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454813
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
CID 171196615
2,6-dichloro-N-cyclohexylaniline
CID 65469917
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
N-cyclobutyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105454816

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 105498687) is 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine is Clc1cccc2c1C(NC1CCC1)CCN2.
What is the InChIKey of 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is HAMAKHUPMJAZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-10-5-2-6-11-13(10)12(7-8-15-11)16-9-3-1-4-9/h2,5-6,9,12,15-16H,1,3-4,7-8H2.
What are the key properties of 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine?
5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 236.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 105498687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).