N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine

C14H21N3 — CID 61469725

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
SMILESCCC(NCc1cn2ccccc2n1)C(C)C
InChIInChI=1S/C14H21N3/c1-4-13(11(2)3)15-9-12-10-17-8-6-5-7-14(17)16-12/h5-8,10-11,13,15H,4,9H2,1-3H3
InChIKeyVACQYFJRTKMWFS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.86
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine (PubChem CID 61469725) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
PubChem CID61469725
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
SMILESCCC(NCc1cn2ccccc2n1)C(C)C
InChIInChI=1S/C14H21N3/c1-4-13(11(2)3)15-9-12-10-17-8-6-5-7-14(17)16-12/h5-8,10-11,13,15H,4,9H2,1-3H3
InChIKeyVACQYFJRTKMWFS-UHFFFAOYSA-N
XLogP2.86
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine (CID 61469725) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine is CCC(NCc1cn2ccccc2n1)C(C)C.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine?
The InChIKey is VACQYFJRTKMWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-13(11(2)3)15-9-12-10-17-8-6-5-7-14(17)16-12/h5-8,10-11,13,15H,4,9H2,1-3H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine is sourced from PubChem (CID 61469725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).