N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine

C13H18IN3 — CID 107320212

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine
SMILESICCCCCNCc1cn2ccccc2n1
InChIInChI=1S/C13H18IN3/c14-7-3-1-4-8-15-10-12-11-17-9-5-2-6-13(17)16-12/h2,5-6,9,11,15H,1,3-4,7-8,10H2
InChIKeyWXEVQMVYULCNKK-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.03
Rot. Bonds7

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine (PubChem CID 107320212) has the molecular formula C13H18IN3 and a molecular weight of 343.21 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine
PubChem CID107320212
Molecular FormulaC13H18IN3
Molecular Weight343.21 g/mol
Exact Mass343.05
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine
SMILESICCCCCNCc1cn2ccccc2n1
InChIInChI=1S/C13H18IN3/c14-7-3-1-4-8-15-10-12-11-17-9-5-2-6-13(17)16-12/h2,5-6,9,11,15H,1,3-4,7-8,10H2
InChIKeyWXEVQMVYULCNKK-UHFFFAOYSA-N
XLogP3.03
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine
CID 106844928
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyloctan-1-amine
CID 60689918
3-cyclopropyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propan-1-amine
CID 115654278
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60698046
3-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propan-1-amine
CID 115573483
2-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethoxy]acetamide
CID 106236565
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol
CID 115572847
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 103603783
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688880
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)propane-1,3-diol
CID 65313149
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60687022

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine (CID 107320212) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine is ICCCCCNCc1cn2ccccc2n1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine?
The InChIKey is WXEVQMVYULCNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3/c14-7-3-1-4-8-15-10-12-11-17-9-5-2-6-13(17)16-12/h2,5-6,9,11,15H,1,3-4,7-8,10H2.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine has a molecular weight of 343.21 g/mol, XLogP of 3.03, 7 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)-5-iodopentan-1-amine is sourced from PubChem (CID 107320212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).