6-N-(3-methoxypropyl)pyridine-2,6-diamine

C9H15N3O — CID 80647839

IUPAC6-N-(3-methoxypropyl)pyridine-2,6-diamine
SMILESCOCCCNc1cccc(N)n1
InChIInChI=1S/C9H15N3O/c1-13-7-3-6-11-9-5-2-4-8(10)12-9/h2,4-5H,3,6-7H2,1H3,(H3,10,11,12)
InChIKeyJSRLZSPRNFILFC-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.11
Rot. Bonds5

About 6-N-(3-methoxypropyl)pyridine-2,6-diamine

6-N-(3-methoxypropyl)pyridine-2,6-diamine (PubChem CID 80647839) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-N-(3-methoxypropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxypropyl)pyridine-2,6-diamine
PubChem CID80647839
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-N-(3-methoxypropyl)pyridine-2,6-diamine
SMILESCOCCCNc1cccc(N)n1
InChIInChI=1S/C9H15N3O/c1-13-7-3-6-11-9-5-2-4-8(10)12-9/h2,4-5H,3,6-7H2,1H3,(H3,10,11,12)
InChIKeyJSRLZSPRNFILFC-UHFFFAOYSA-N
XLogP1.11
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.11
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

6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
4-[(6-amino-2-pyridinyl)amino]butan-1-ol
CID 106846869
6-bromo-N-(4-methoxybutyl)pyridin-2-amine
CID 63963664
6-N-[2-(methylamino)ethyl]pyridine-2,6-diamine
CID 10888283
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
2-[(6-amino-2-pyridinyl)amino]ethanol
CID 66907238
6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 80647498
2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261799
6-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-2,6-diamine
CID 80646824
6-N-[2-(diethylamino)ethyl]pyridine-2,6-diamine
CID 10856706
6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
CID 80647858

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(3-methoxypropyl)pyridine-2,6-diamine (CID 80647839) is 6-N-(3-methoxypropyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-methoxypropyl)pyridine-2,6-diamine is COCCCNc1cccc(N)n1.
What is the InChIKey of 6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The InChIKey is JSRLZSPRNFILFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-7-3-6-11-9-5-2-4-8(10)12-9/h2,4-5H,3,6-7H2,1H3,(H3,10,11,12).
What are the key properties of 6-N-(3-methoxypropyl)pyridine-2,6-diamine?
6-N-(3-methoxypropyl)pyridine-2,6-diamine has a molecular weight of 181.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxypropyl)pyridine-2,6-diamine is sourced from PubChem (CID 80647839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).