N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine

C11H19N3O — CID 107323439

IUPACN'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
SMILESCOc1ccc(NCCCCCN)nc1
InChIInChI=1S/C11H19N3O/c1-15-10-5-6-11(14-9-10)13-8-4-2-3-7-12/h5-6,9H,2-4,7-8,12H2,1H3,(H,13,14)
InChIKeyHYMLQYCWNJTHGR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.63
Rot. Bonds7

About N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine

N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine (PubChem CID 107323439) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
PubChem CID107323439
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
SMILESCOc1ccc(NCCCCCN)nc1
InChIInChI=1S/C11H19N3O/c1-15-10-5-6-11(14-9-10)13-8-4-2-3-7-12/h5-6,9H,2-4,7-8,12H2,1H3,(H,13,14)
InChIKeyHYMLQYCWNJTHGR-UHFFFAOYSA-N
XLogP1.63
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine
CID 107323387
5-methoxy-N-propylpyridin-2-amine
CID 106503925
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142213
N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine
CID 106504375
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 106504113
N-(3-chlorobutyl)-5-methoxypyridin-2-amine
CID 106505086
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
CID 104696655
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957

Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine?
The IUPAC name of N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine (CID 107323439) is N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine is COc1ccc(NCCCCCN)nc1.
What is the InChIKey of N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is HYMLQYCWNJTHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-15-10-5-6-11(14-9-10)13-8-4-2-3-7-12/h5-6,9H,2-4,7-8,12H2,1H3,(H,13,14).
What are the key properties of N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine?
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine has a molecular weight of 209.29 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 107323439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).