N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine

C15H23N3 — CID 56676961

IUPACN-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCCNc1c(C(C)C)nc2ccccn12
InChIInChI=1S/C15H23N3/c1-4-5-7-10-16-15-14(12(2)3)17-13-9-6-8-11-18(13)15/h6,8-9,11-12,16H,4-5,7,10H2,1-3H3
InChIKeyCUHFHHOTVCZYOP-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.06
Rot. Bonds6

About N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine

N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 56676961) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID56676961
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCCNc1c(C(C)C)nc2ccccn12
InChIInChI=1S/C15H23N3/c1-4-5-7-10-16-15-14(12(2)3)17-13-9-6-8-11-18(13)15/h6,8-9,11-12,16H,4-5,7,10H2,1-3H3
InChIKeyCUHFHHOTVCZYOP-UHFFFAOYSA-N
XLogP4.06
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine (CID 56676961) is N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine is CCCCCNc1c(C(C)C)nc2ccccn12.
What is the InChIKey of N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is CUHFHHOTVCZYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-5-7-10-16-15-14(12(2)3)17-13-9-6-8-11-18(13)15/h6,8-9,11-12,16H,4-5,7,10H2,1-3H3.
What are the key properties of N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine?
N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 245.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 56676961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).