N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine

C14H22Cl2N2O — CID 106993658

IUPACN-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H22Cl2N2O/c1-4-12(5-2)18(8-9-19-3)10-11-6-7-13(15)17-14(11)16/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyGGBZYZCQTZKZPY-UHFFFAOYSA-N
MW305.25 g/mol
LogP4.03
Rot. Bonds8

About N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine

N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 106993658) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID106993658
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC NameN-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H22Cl2N2O/c1-4-12(5-2)18(8-9-19-3)10-11-6-7-13(15)17-14(11)16/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyGGBZYZCQTZKZPY-UHFFFAOYSA-N
XLogP4.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 106993912
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 106993484
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyridin-3-ol
CID 82986415
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
5-bromo-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]aniline
CID 79712411
2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986111
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine
CID 106993491
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 114478718
2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
CID 106994651
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 107113299
N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106994993

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine (CID 106993658) is N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)Cc1ccc(Cl)nc1Cl.
What is the InChIKey of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is GGBZYZCQTZKZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O/c1-4-12(5-2)18(8-9-19-3)10-11-6-7-13(15)17-14(11)16/h6-7,12H,4-5,8-10H2,1-3H3.
What are the key properties of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 305.25 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 106993658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).