N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine

C11H19N3O — CID 107323427

IUPACN'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
SMILESCOc1cc(NCCCCCN)ccn1
InChIInChI=1S/C11H19N3O/c1-15-11-9-10(5-8-14-11)13-7-4-2-3-6-12/h5,8-9H,2-4,6-7,12H2,1H3,(H,13,14)
InChIKeyKPVNHZGXEGPEQX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.63
Rot. Bonds7

About N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine

N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine (PubChem CID 107323427) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
PubChem CID107323427
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
SMILESCOc1cc(NCCCCCN)ccn1
InChIInChI=1S/C11H19N3O/c1-15-11-9-10(5-8-14-11)13-7-4-2-3-6-12/h5,8-9H,2-4,6-7,12H2,1H3,(H,13,14)
InChIKeyKPVNHZGXEGPEQX-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

2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251
3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357770
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
CID 112739513
N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine
CID 106177618
4-(5-methoxypentylamino)pyridine-2-carbothioamide
CID 114130390
1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159402
N-[(1-aminocyclobutyl)methyl]-2-methoxypyridin-4-amine
CID 103354198
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine?
The IUPAC name of N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine (CID 107323427) is N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine is COc1cc(NCCCCCN)ccn1.
What is the InChIKey of N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine?
The InChIKey is KPVNHZGXEGPEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-15-11-9-10(5-8-14-11)13-7-4-2-3-6-12/h5,8-9H,2-4,6-7,12H2,1H3,(H,13,14).
What are the key properties of N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine?
N'-(2-methoxy-4-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'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 107323427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).