N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine

C16H26N4O — CID 63010016

IUPACN-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
SMILESCCCNCc1c(N(C)CCCOC)nc2ccccn12
InChIInChI=1S/C16H26N4O/c1-4-9-17-13-14-16(19(2)10-7-12-21-3)18-15-8-5-6-11-20(14)15/h5-6,8,11,17H,4,7,9-10,12-13H2,1-3H3
InChIKeyMTBAKBNTTVXWQM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.31
Rot. Bonds9

About N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine

N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 63010016) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID63010016
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
SMILESCCCNCc1c(N(C)CCCOC)nc2ccccn12
InChIInChI=1S/C16H26N4O/c1-4-9-17-13-14-16(19(2)10-7-12-21-3)18-15-8-5-6-11-20(14)15/h5-6,8,11,17H,4,7,9-10,12-13H2,1-3H3
InChIKeyMTBAKBNTTVXWQM-UHFFFAOYSA-N
XLogP2.31
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine (CID 63010016) is N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine is CCCNCc1c(N(C)CCCOC)nc2ccccn12.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is MTBAKBNTTVXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-9-17-13-14-16(19(2)10-7-12-21-3)18-15-8-5-6-11-20(14)15/h5-6,8,11,17H,4,7,9-10,12-13H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine?
N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 63010016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).