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

C12H17ClN2O — CID 115922615

IUPACN-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine
SMILESCC(NC1(C)CCOC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-9(10-3-4-11(13)14-7-10)15-12(2)5-6-16-8-12/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyIKBJKHRKAAOUSR-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.56
Rot. Bonds3

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

N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine (PubChem CID 115922615) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine
PubChem CID115922615
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine
SMILESCC(NC1(C)CCOC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-9(10-3-4-11(13)14-7-10)15-12(2)5-6-16-8-12/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyIKBJKHRKAAOUSR-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115776741
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine
CID 115920873
2-[1-(6-chloro-3-pyridinyl)ethyl]-6-oxa-2-azaspiro[3.4]octane
CID 172624442
N-[1-(3-methoxyphenyl)ethyl]-3-methyloxolan-3-amine
CID 75497994
6-chloro-N-(3-methyloxetan-3-yl)pyridin-3-amine
CID 172624233
[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
CID 115776769
3-methyl-N-[1-(3-nitrophenyl)ethyl]oxolan-3-amine
CID 75497993
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
5-[1-[(3-methyloxolan-3-yl)amino]ethyl]thiophene-2-carbonitrile
CID 115922586
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
CID 115896493
N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
CID 115776708
N-(3-methyloxolan-3-yl)-3-propan-2-yloxypyridin-2-amine
CID 113482121

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine (CID 115922615) is N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine is CC(NC1(C)CCOC1)c1ccc(Cl)nc1.
What is the InChIKey of N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine?
The InChIKey is IKBJKHRKAAOUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(10-3-4-11(13)14-7-10)15-12(2)5-6-16-8-12/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine?
N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine has a molecular weight of 240.73 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine is sourced from PubChem (CID 115922615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).