1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine

C14H21N5 — CID 119116119

IUPAC1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
SMILESC/N=C(/NCc1cn2ccccc2n1)NC(C)(C)C
InChIInChI=1S/C14H21N5/c1-14(2,3)18-13(15-4)16-9-11-10-19-8-6-5-7-12(19)17-11/h5-8,10H,9H2,1-4H3,(H2,15,16,18)
InChIKeyAKLLNNWVGDDZQI-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.80
Rot. Bonds2

About 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine

1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine (PubChem CID 119116119) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
PubChem CID119116119
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
SMILESC/N=C(/NCc1cn2ccccc2n1)NC(C)(C)C
InChIInChI=1S/C14H21N5/c1-14(2,3)18-13(15-4)16-9-11-10-19-8-6-5-7-12(19)17-11/h5-8,10H,9H2,1-4H3,(H2,15,16,18)
InChIKeyAKLLNNWVGDDZQI-UHFFFAOYSA-N
XLogP1.80
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 110913540
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 119151641
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119116994
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119116993
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 119131733
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-(1-cyclopropylpyrrolidin-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 119150003
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111535580
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine?
The IUPAC name of 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine (CID 119116119) is 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine?
The canonical SMILES for 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine is C/N=C(/NCc1cn2ccccc2n1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine?
The InChIKey is AKLLNNWVGDDZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(2,3)18-13(15-4)16-9-11-10-19-8-6-5-7-12(19)17-11/h5-8,10H,9H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine?
1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine has a molecular weight of 259.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine is sourced from PubChem (CID 119116119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).