N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine

C13H19ClN2 — CID 115896493

IUPACN-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
SMILESCC(NC(C)C1CCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H19ClN2/c1-9(11-4-3-5-11)16-10(2)12-6-7-13(14)15-8-12/h6-11,16H,3-5H2,1-2H3
InChIKeyDGQNJJABYGQUEH-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine

N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine (PubChem CID 115896493) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine.

Molecular Properties

Compound NameN-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
PubChem CID115896493
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
SMILESCC(NC(C)C1CCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H19ClN2/c1-9(11-4-3-5-11)16-10(2)12-6-7-13(14)15-8-12/h6-11,16H,3-5H2,1-2H3
InChIKeyDGQNJJABYGQUEH-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
N-[1-(2-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
CID 115896481
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine
CID 98870236
(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 97246942
(1R)-1-cyclopropyl-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 28655253

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine?
The IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine (CID 115896493) is N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine.
What is the SMILES notation for N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine?
The canonical SMILES for N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine is CC(NC(C)C1CCC1)c1ccc(Cl)nc1.
What is the InChIKey of N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine?
The InChIKey is DGQNJJABYGQUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9(11-4-3-5-11)16-10(2)12-6-7-13(14)15-8-12/h6-11,16H,3-5H2,1-2H3.
What are the key properties of N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine?
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine has a molecular weight of 238.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine is sourced from PubChem (CID 115896493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).