N'-tert-butylpyridine-4-carboximidamide

C10H15N3 — CID 63181474

IUPACN'-tert-butylpyridine-4-carboximidamide
SMILESCC(C)(C)/N=C(\N)c1ccncc1
InChIInChI=1S/C10H15N3/c1-10(2,3)13-9(11)8-4-6-12-7-5-8/h4-7H,1-3H3,(H2,11,13)
InChIKeyFXRUTFRXIJHGIN-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.59
Rot. Bonds1

About N'-tert-butylpyridine-4-carboximidamide

N'-tert-butylpyridine-4-carboximidamide (PubChem CID 63181474) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N'-tert-butylpyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-tert-butylpyridine-4-carboximidamide
PubChem CID63181474
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN'-tert-butylpyridine-4-carboximidamide
SMILESCC(C)(C)/N=C(\N)c1ccncc1
InChIInChI=1S/C10H15N3/c1-10(2,3)13-9(11)8-4-6-12-7-5-8/h4-7H,1-3H3,(H2,11,13)
InChIKeyFXRUTFRXIJHGIN-UHFFFAOYSA-N
XLogP1.59
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
CID 172958470
N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
[[amino(pyridin-4-yl)methylidene]amino] 4-tert-butylbenzoate
CID 4574737
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-4-ylurea
CID 70456473
N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide
CID 89216738
N-(diaminomethylidene)pyridine-4-carboxamide
CID 14045774
hydrogen selenite;N'-hydroxypyridine-4-carboximidamide
CID 135465891
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248
propan-2-one;pyridine-4-carboxamide
CID 174689468
3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide
CID 66423711
N'-(4-ethoxyphenyl)pyridine-4-carboximidamide
CID 12826054
4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol
CID 136617524

Frequently Asked Questions

What is the IUPAC name of N'-tert-butylpyridine-4-carboximidamide?
The IUPAC name of N'-tert-butylpyridine-4-carboximidamide (CID 63181474) is N'-tert-butylpyridine-4-carboximidamide.
What is the SMILES notation for N'-tert-butylpyridine-4-carboximidamide?
The canonical SMILES for N'-tert-butylpyridine-4-carboximidamide is CC(C)(C)/N=C(\N)c1ccncc1.
What is the InChIKey of N'-tert-butylpyridine-4-carboximidamide?
The InChIKey is FXRUTFRXIJHGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(2,3)13-9(11)8-4-6-12-7-5-8/h4-7H,1-3H3,(H2,11,13).
What are the key properties of N'-tert-butylpyridine-4-carboximidamide?
N'-tert-butylpyridine-4-carboximidamide has a molecular weight of 177.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylpyridine-4-carboximidamide is sourced from PubChem (CID 63181474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).