N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine

C25H35N3O — CID 10111190

IUPACN-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc(-c2cn3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H35N3O/c1-4-6-15-27(16-7-5-2)17-8-18-29-23-12-10-22(11-13-23)24-20-28-19-21(3)9-14-25(28)26-24/h9-14,19-20H,4-8,15-18H2,1-3H3
InChIKeyHMUXEUXSOFSFTD-UHFFFAOYSA-N
MW393.58 g/mol
LogP5.98
Rot. Bonds12

About N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine

N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine (PubChem CID 10111190) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
PubChem CID10111190
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC NameN-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc(-c2cn3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H35N3O/c1-4-6-15-27(16-7-5-2)17-8-18-29-23-12-10-22(11-13-23)24-20-28-19-21(3)9-14-25(28)26-24/h9-14,19-20H,4-8,15-18H2,1-3H3
InChIKeyHMUXEUXSOFSFTD-UHFFFAOYSA-N
XLogP5.98
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine (CID 10111190) is N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine is CCCCN(CCCC)CCCOc1ccc(-c2cn3cc(C)ccc3n2)cc1.
What is the InChIKey of N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The InChIKey is HMUXEUXSOFSFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-4-6-15-27(16-7-5-2)17-8-18-29-23-12-10-22(11-13-23)24-20-28-19-21(3)9-14-25(28)26-24/h9-14,19-20H,4-8,15-18H2,1-3H3.
What are the key properties of N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine has a molecular weight of 393.58 g/mol, XLogP of 5.98, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine is sourced from PubChem (CID 10111190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).