N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine

C26H37N3O — CID 14773969

IUPACN-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc(-c2nc3cc(C)ccn3c2C)cc1
InChIInChI=1S/C26H37N3O/c1-5-7-15-28(16-8-6-2)17-9-19-30-24-12-10-23(11-13-24)26-22(4)29-18-14-21(3)20-25(29)27-26/h10-14,18,20H,5-9,15-17,19H2,1-4H3
InChIKeySAWJLAQEWTXPJS-UHFFFAOYSA-N
MW407.60 g/mol
LogP6.29
Rot. Bonds12

About N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine

N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine (PubChem CID 14773969) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
PubChem CID14773969
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC NameN-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc(-c2nc3cc(C)ccn3c2C)cc1
InChIInChI=1S/C26H37N3O/c1-5-7-15-28(16-8-6-2)17-9-19-30-24-12-10-23(11-13-24)26-22(4)29-18-14-21(3)20-25(29)27-26/h10-14,18,20H,5-9,15-17,19H2,1-4H3
InChIKeySAWJLAQEWTXPJS-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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Related Compounds

[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199352
[3-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059872
2-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030415
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035102
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
2-[2-(4-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030016
3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]-5-methylimidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 25144844
N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
CID 88785633
N-butyl-N-[3-[4-[1-[(E)-4-[2-[4-[3-(dibutylamino)propoxy]phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazol-2-yl]phenoxy]propyl]butan-1-amine
CID 19938408
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octanoate
CID 3381982

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine (CID 14773969) is N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine is CCCCN(CCCC)CCCOc1ccc(-c2nc3cc(C)ccn3c2C)cc1.
What is the InChIKey of N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The InChIKey is SAWJLAQEWTXPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-5-7-15-28(16-8-6-2)17-9-19-30-24-12-10-23(11-13-24)26-22(4)29-18-14-21(3)20-25(29)27-26/h10-14,18,20H,5-9,15-17,19H2,1-4H3.
What are the key properties of N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
N-butyl-N-[3-[4-(3,7-dimethylimidazo[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-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine is sourced from PubChem (CID 14773969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).