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

C13H19ClN2 — CID 115920873

IUPACN-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NC(C)c2ccc(Cl)nc2)CCC1
InChIInChI=1S/C13H19ClN2/c1-3-13(7-4-8-13)16-10(2)11-5-6-12(14)15-9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyAHJOAFUVZDHLQG-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.72
Rot. Bonds4

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

N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine (PubChem CID 115920873) 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-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine
PubChem CID115920873
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NC(C)c2ccc(Cl)nc2)CCC1
InChIInChI=1S/C13H19ClN2/c1-3-13(7-4-8-13)16-10(2)11-5-6-12(14)15-9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyAHJOAFUVZDHLQG-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine
CID 115922615
1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine
CID 97338475
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
CID 115896493
[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
CID 115776769
1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115776741
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115776767
N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
CID 115776708
2-chloro-5-pentan-3-ylpyridine
CID 134459618
N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine
CID 115776636
N-[1-(6-chloro-3-pyridinyl)ethyl]hex-5-yn-3-amine
CID 115776759
1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 71907392

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine?
The IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine (CID 115920873) is N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine is CCC1(NC(C)c2ccc(Cl)nc2)CCC1.
What is the InChIKey of N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine?
The InChIKey is AHJOAFUVZDHLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-3-13(7-4-8-13)16-10(2)11-5-6-12(14)15-9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine?
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine has a molecular weight of 238.76 g/mol, XLogP of 3.72, 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-ethylcyclobutan-1-amine is sourced from PubChem (CID 115920873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).