N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine

C26H37N3O — CID 14201510

IUPACN-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C26H37N3O/c1-5-7-14-28(15-8-6-2)16-10-18-30-23-12-13-24(22(4)19-23)25-20-29-17-9-11-21(3)26(29)27-25/h9,11-13,17,19-20H,5-8,10,14-16,18H2,1-4H3
InChIKeyBVKMXROKPXECOE-UHFFFAOYSA-N
MW407.60 g/mol
LogP6.29
Rot. Bonds12

About N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine

N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine (PubChem CID 14201510) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
PubChem CID14201510
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC NameN-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C26H37N3O/c1-5-7-14-28(15-8-6-2)16-10-18-30-23-12-13-24(22(4)19-23)25-20-29-17-9-11-21(3)26(29)27-25/h9,11-13,17,19-20H,5-8,10,14-16,18H2,1-4H3
InChIKeyBVKMXROKPXECOE-UHFFFAOYSA-N
XLogP6.29
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 56.29
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-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine (CID 14201510) is N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine is CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)c(C)c1.
What is the InChIKey of N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The InChIKey is BVKMXROKPXECOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-5-7-14-28(15-8-6-2)16-10-18-30-23-12-13-24(22(4)19-23)25-20-29-17-9-11-21(3)26(29)27-25/h9,11-13,17,19-20H,5-8,10,14-16,18H2,1-4H3.
What are the key properties of N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine has a molecular weight of 407.60 g/mol, XLogP of 6.29, 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-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine is sourced from PubChem (CID 14201510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).