N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine

C13H21ClN2 — CID 115728798

IUPACN-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NCCc1ccc(Cl)nc1)C(C)C
InChIInChI=1S/C13H21ClN2/c1-4-12(10(2)3)15-8-7-11-5-6-13(14)16-9-11/h5-6,9-10,12,15H,4,7-8H2,1-3H3
InChIKeyROFYCSGPUOMNDQ-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine

N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine (PubChem CID 115728798) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine
PubChem CID115728798
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NCCc1ccc(Cl)nc1)C(C)C
InChIInChI=1S/C13H21ClN2/c1-4-12(10(2)3)15-8-7-11-5-6-13(14)16-9-11/h5-6,9-10,12,15H,4,7-8H2,1-3H3
InChIKeyROFYCSGPUOMNDQ-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.30
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-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine
CID 115728805
(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 103740251
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
N-[(6-chloro-3-pyridinyl)methyl]-N-ethylbutan-2-amine
CID 43274506
4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide
CID 123775700
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
CID 174856030
N-[(6-chloro-3-pyridinyl)methyl]-2-methylbutanethioamide
CID 90853819
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(6-chloro-3-pyridinyl)methyl]hex-5-yn-3-amine
CID 115683729
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112692351
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine (CID 115728798) is N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine is CCC(NCCc1ccc(Cl)nc1)C(C)C.
What is the InChIKey of N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is ROFYCSGPUOMNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-12(10(2)3)15-8-7-11-5-6-13(14)16-9-11/h5-6,9-10,12,15H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine?
N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine has a molecular weight of 240.78 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 115728798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).