1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine

C13H21ClN2O — CID 62292187

IUPAC1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(OCCCC(C)C)c(Cl)c1
InChIInChI=1S/C13H21ClN2O/c1-10(2)5-4-6-17-13-12(14)7-11(8-15-3)9-16-13/h7,9-10,15H,4-6,8H2,1-3H3
InChIKeyGXWHDNGXHACSJH-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.27
Rot. Bonds7

About 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62292187) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID62292187
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(OCCCC(C)C)c(Cl)c1
InChIInChI=1S/C13H21ClN2O/c1-10(2)5-4-6-17-13-12(14)7-11(8-15-3)9-16-13/h7,9-10,15H,4-6,8H2,1-3H3
InChIKeyGXWHDNGXHACSJH-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
CID 102986084
1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291293
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
N-[(5-chloro-6-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63487951
N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740579
N-[[5-chloro-6-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106449522
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 55058238

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine (CID 62292187) is 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(OCCCC(C)C)c(Cl)c1.
What is the InChIKey of 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is GXWHDNGXHACSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-10(2)5-4-6-17-13-12(14)7-11(8-15-3)9-16-13/h7,9-10,15H,4-6,8H2,1-3H3.
What are the key properties of 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 256.78 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62292187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).