2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine

C12H21N3O — CID 106006897

IUPAC2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
SMILESCC(C)OCCCCNc1ccc(N)cn1
InChIInChI=1S/C12H21N3O/c1-10(2)16-8-4-3-7-14-12-6-5-11(13)9-15-12/h5-6,9-10H,3-4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyPJKNQSNRJMVKEJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.28
Rot. Bonds7

About 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine

2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine (PubChem CID 106006897) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
PubChem CID106006897
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
SMILESCC(C)OCCCCNc1ccc(N)cn1
InChIInChI=1S/C12H21N3O/c1-10(2)16-8-4-3-7-14-12-6-5-11(13)9-15-12/h5-6,9-10H,3-4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyPJKNQSNRJMVKEJ-UHFFFAOYSA-N
XLogP2.28
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.28
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-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
2-N-hexylpyridine-2,5-diamine
CID 21487111
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 106006135
4-[(5-amino-2-pyridinyl)amino]butan-2-ol
CID 64928844
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
2-N-(2,3-dimethylbutyl)pyridine-2,5-diamine
CID 64570407
6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide
CID 106012409
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine
CID 117044524
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
CID 106006969

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine (CID 106006897) is 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine is CC(C)OCCCCNc1ccc(N)cn1.
What is the InChIKey of 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine?
The InChIKey is PJKNQSNRJMVKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)16-8-4-3-7-14-12-6-5-11(13)9-15-12/h5-6,9-10H,3-4,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine?
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine is sourced from PubChem (CID 106006897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).